[7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

C20H22ClNO5 — CID 175253115

IUPAC[7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCOc1ccc(Cl)c(-c2cc3c(cc2OC)C(OC(N)=O)C(C)(C)CO3)c1
InChIInChI=1S/C20H22ClNO5/c1-20(2)10-26-17-8-13(12-7-11(24-3)5-6-15(12)21)16(25-4)9-14(17)18(20)27-19(22)23/h5-9,18H,10H2,1-4H3,(H2,22,23)
InChIKeyOEWUHJCGXMWLBU-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.58
Rot. Bonds4

About [7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

[7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (PubChem CID 175253115) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is [7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
PubChem CID175253115
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Name[7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCOc1ccc(Cl)c(-c2cc3c(cc2OC)C(OC(N)=O)C(C)(C)CO3)c1
InChIInChI=1S/C20H22ClNO5/c1-20(2)10-26-17-8-13(12-7-11(24-3)5-6-15(12)21)16(25-4)9-14(17)18(20)27-19(22)23/h5-9,18H,10H2,1-4H3,(H2,22,23)
InChIKeyOEWUHJCGXMWLBU-UHFFFAOYSA-N
XLogP4.58
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methoxy-3,3-dimethyl-7-[4-(2-methylpropoxy)phenyl]-2,4-dihydrochromen-4-yl] carbamate
CID 175254124
[7-[2-chloro-5-(trifluoromethoxy)phenyl]-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252967
[6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253145
[7-(3-chloro-4-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252980
[7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252942
[7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253132
[3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate
CID 175254067
[7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253017
[5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296715
[6-(4-chloro-3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568855
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[7-(2-chloro-5-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl]carbamate
CID 156740418
[7-(2-fluoro-6-methyl-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253227

Frequently Asked Questions

What is the IUPAC name of [7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The IUPAC name of [7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (CID 175253115) is [7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.
What is the SMILES notation for [7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The canonical SMILES for [7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is COc1ccc(Cl)c(-c2cc3c(cc2OC)C(OC(N)=O)C(C)(C)CO3)c1.
What is the InChIKey of [7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The InChIKey is OEWUHJCGXMWLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-20(2)10-26-17-8-13(12-7-11(24-3)5-6-15(12)21)16(25-4)9-14(17)18(20)27-19(22)23/h5-9,18H,10H2,1-4H3,(H2,22,23).
What are the key properties of [7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
[7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate has a molecular weight of 391.85 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is sourced from PubChem (CID 175253115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).