1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene

C102H147Cl5F3NO — CID 167532335

IUPAC1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)c(Cl)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(F)c(C(C)C)c1.CC(C)c1cc(Cl)cc(C(C)C)c1C(C)C.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1cc(F)cc(C(C)C)c1C(C)C.CC(C)c1ccc(Cl)c(C(C)C)c1C(C)C.COc1cc(-c2cc(F)cc(C(C)C)c2C(C)C)ccn1
InChIInChI=1S/C18H22FNO.3C15H23Cl.2C15H23F.C9H10Cl2/c1-11(2)15-9-14(19)10-16(18(15)12(3)4)13-6-7-20-17(8-13)21-5;1-9(2)13-7-12(16)8-14(10(3)4)15(13)11(5)6;1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6;1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4;1-9(2)13-7-12(16)8-14(10(3)4)15(13)11(5)6;1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6;1-6(2)7-3-8(10)5-9(11)4-7/h6-12H,1-5H3;5*7-11H,1-6H3;3-6H,1-2H3
InChIKeyADIDSMQMUSZZSA-UHFFFAOYSA-N
MW1637.56 g/mol
LogP36.78
Rot. Bonds20

About 1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene

1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene (PubChem CID 167532335) has the molecular formula C102H147Cl5F3NO and a molecular weight of 1637.56 g/mol. Its IUPAC name is 1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene
PubChem CID167532335
Molecular FormulaC102H147Cl5F3NO
Molecular Weight1637.56 g/mol
Exact Mass1633.99
IUPAC Name1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)c(Cl)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(F)c(C(C)C)c1.CC(C)c1cc(Cl)cc(C(C)C)c1C(C)C.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1cc(F)cc(C(C)C)c1C(C)C.CC(C)c1ccc(Cl)c(C(C)C)c1C(C)C.COc1cc(-c2cc(F)cc(C(C)C)c2C(C)C)ccn1
InChIInChI=1S/C18H22FNO.3C15H23Cl.2C15H23F.C9H10Cl2/c1-11(2)15-9-14(19)10-16(18(15)12(3)4)13-6-7-20-17(8-13)21-5;1-9(2)13-7-12(16)8-14(10(3)4)15(13)11(5)6;1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6;1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4;1-9(2)13-7-12(16)8-14(10(3)4)15(13)11(5)6;1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6;1-6(2)7-3-8(10)5-9(11)4-7/h6-12H,1-5H3;5*7-11H,1-6H3;3-6H,1-2H3
InChIKeyADIDSMQMUSZZSA-UHFFFAOYSA-N
XLogP36.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001637.56
LogP ≤ 536.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene?
The IUPAC name of 1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene (CID 167532335) is 1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene.
What is the SMILES notation for 1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene?
The canonical SMILES for 1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene is CC(C)c1cc(C(C)C)c(Cl)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(F)c(C(C)C)c1.CC(C)c1cc(Cl)cc(C(C)C)c1C(C)C.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1cc(F)cc(C(C)C)c1C(C)C.CC(C)c1ccc(Cl)c(C(C)C)c1C(C)C.COc1cc(-c2cc(F)cc(C(C)C)c2C(C)C)ccn1.
What is the InChIKey of 1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene?
The InChIKey is ADIDSMQMUSZZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO.3C15H23Cl.2C15H23F.C9H10Cl2/c1-11(2)15-9-14(19)10-16(18(15)12(3)4)13-6-7-20-17(8-13)21-5;1-9(2)13-7-12(16)8-14(10(3)4)15(13)11(5)6;1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6;1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4;1-9(2)13-7-12(16)8-14(10(3)4)15(13)11(5)6;1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6;1-6(2)7-3-8(10)5-9(11)4-7/h6-12H,1-5H3;5*7-11H,1-6H3;3-6H,1-2H3.
What are the key properties of 1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene?
1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene has a molecular weight of 1637.56 g/mol, XLogP of 36.78, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,4-tri(propan-2-yl)benzene;2-chloro-1,3,5-tri(propan-2-yl)benzene;5-chloro-1,2,3-tri(propan-2-yl)benzene;1,3-dichloro-5-propan-2-ylbenzene;4-[5-fluoro-2,3-di(propan-2-yl)phenyl]-2-methoxypyridine;2-fluoro-1,3,5-tri(propan-2-yl)benzene;5-fluoro-1,2,3-tri(propan-2-yl)benzene is sourced from PubChem (CID 167532335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).