1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene)

C119H155ClN2O11 — CID 157126173

IUPAC1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene)
SMILESC.C.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc2c(c1)C(=O)CCO2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1cc(C(C)C)c(C)c2c1OCCC2=O.Cc1cc(C(C)C)c(C)c2c1OCCC2=O
InChIInChI=1S/2C14H15NO.2C14H18O2.2C14H20O.C12H14O2.C12H16O.C9H11Cl.2CH4/c2*1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;2*1-8(2)11-7-9(3)14-13(10(11)4)12(15)5-6-16-14;2*1-9(2)13-8-10(3)14-12(11(13)4)6-5-7-15-14;1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)8-3-5-9(10)6-4-8;;/h2*3-5,7,9H,6,8H2,1-2H3;2*7-8H,5-6H2,1-4H3;2*8-9H,5-7H2,1-4H3;3-4,7-8H,5-6H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-7H,1-2H3;2*1H4
InChIKeyAINKTBJLXLCEAD-UHFFFAOYSA-N
MW1825.00 g/mol
LogP31.52
Rot. Bonds9

About 1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene)

1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene) (PubChem CID 157126173) has the molecular formula C119H155ClN2O11 and a molecular weight of 1825.00 g/mol. Its IUPAC name is 1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene).

Molecular Properties

Compound Name1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene)
PubChem CID157126173
Molecular FormulaC119H155ClN2O11
Molecular Weight1825.00 g/mol
Exact Mass1823.13
IUPAC Name1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene)
SMILESC.C.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc2c(c1)C(=O)CCO2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1cc(C(C)C)c(C)c2c1OCCC2=O.Cc1cc(C(C)C)c(C)c2c1OCCC2=O
InChIInChI=1S/2C14H15NO.2C14H18O2.2C14H20O.C12H14O2.C12H16O.C9H11Cl.2CH4/c2*1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;2*1-8(2)11-7-9(3)14-13(10(11)4)12(15)5-6-16-14;2*1-9(2)13-8-10(3)14-12(11(13)4)6-5-7-15-14;1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)8-3-5-9(10)6-4-8;;/h2*3-5,7,9H,6,8H2,1-2H3;2*7-8H,5-6H2,1-4H3;2*8-9H,5-7H2,1-4H3;3-4,7-8H,5-6H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-7H,1-2H3;2*1H4
InChIKeyAINKTBJLXLCEAD-UHFFFAOYSA-N
XLogP31.52
TPSA150.83 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001825.00
LogP ≤ 531.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene)?
The IUPAC name of 1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene) (CID 157126173) is 1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene).
What is the SMILES notation for 1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene)?
The canonical SMILES for 1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene) is C.C.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc2c(c1)C(=O)CCO2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1cc(C(C)C)c(C)c2c1OCCC2=O.Cc1cc(C(C)C)c(C)c2c1OCCC2=O.
What is the InChIKey of 1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene)?
The InChIKey is AINKTBJLXLCEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15NO.2C14H18O2.2C14H20O.C12H14O2.C12H16O.C9H11Cl.2CH4/c2*1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;2*1-8(2)11-7-9(3)14-13(10(11)4)12(15)5-6-16-14;2*1-9(2)13-8-10(3)14-12(11(13)4)6-5-7-15-14;1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)8-3-5-9(10)6-4-8;;/h2*3-5,7,9H,6,8H2,1-2H3;2*7-8H,5-6H2,1-4H3;2*8-9H,5-7H2,1-4H3;3-4,7-8H,5-6H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-7H,1-2H3;2*1H4.
What are the key properties of 1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene)?
1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene) has a molecular weight of 1825.00 g/mol, XLogP of 31.52, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene) is sourced from PubChem (CID 157126173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).