(1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol

C17H16Cl2O3 — CID 10617027

IUPAC(1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)[C@@H](O)C[C@H]2c1ccc(Cl)c(Cl)c1OC
InChIInChI=1S/C17H16Cl2O3/c1-21-9-3-4-10-12(8-15(20)13(10)7-9)11-5-6-14(18)16(19)17(11)22-2/h3-7,12,15,20H,8H2,1-2H3/t12-,15+/m1/s1
InChIKeyOQGSXGUMNPLNDS-DOMZBBRYSA-N
MW339.22 g/mol
LogP4.58
Rot. Bonds3

About (1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol

(1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 10617027) has the molecular formula C17H16Cl2O3 and a molecular weight of 339.22 g/mol. Its IUPAC name is (1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID10617027
Molecular FormulaC17H16Cl2O3
Molecular Weight339.22 g/mol
Exact Mass338.05
IUPAC Name(1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)[C@@H](O)C[C@H]2c1ccc(Cl)c(Cl)c1OC
InChIInChI=1S/C17H16Cl2O3/c1-21-9-3-4-10-12(8-15(20)13(10)7-9)11-5-6-14(18)16(19)17(11)22-2/h3-7,12,15,20H,8H2,1-2H3/t12-,15+/m1/s1
InChIKeyOQGSXGUMNPLNDS-DOMZBBRYSA-N
XLogP4.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol with MolForge

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Related Compounds

tert-butyl N-[(1R,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
CID 10575608
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715455
(1S,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-methoxy-2,3-dihydro-1H-indene
CID 131864192
2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714248
(4R)-2-(4-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104980296
(2S)-2-(2-chloro-4-methoxyphenyl)oxirane
CID 95436380
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
(4R)-2-(3-chloro-4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948581
(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951010
(1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45264957
(4R)-2-(3-chloro-4-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950909
(3,6-dichloro-2-methoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636721

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol (CID 10617027) is (1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol is COc1ccc2c(c1)[C@@H](O)C[C@H]2c1ccc(Cl)c(Cl)c1OC.
What is the InChIKey of (1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is OQGSXGUMNPLNDS-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H16Cl2O3/c1-21-9-3-4-10-12(8-15(20)13(10)7-9)11-5-6-14(18)16(19)17(11)22-2/h3-7,12,15,20H,8H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of (1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol?
(1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 339.22 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 10617027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).