(1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol

C18H19BrO3 — CID 125481616

IUPAC(1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol
SMILESCOc1cc(C[C@]2(O)CCc3cccc(Br)c32)cc(OC)c1
InChIInChI=1S/C18H19BrO3/c1-21-14-8-12(9-15(10-14)22-2)11-18(20)7-6-13-4-3-5-16(19)17(13)18/h3-5,8-10,20H,6-7,11H2,1-2H3/t18-/m1/s1
InChIKeyZLSQCTVQRFCPEN-GOSISDBHSA-N
MW363.25 g/mol
LogP3.84
Rot. Bonds4

About (1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol

(1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 125481616) has the molecular formula C18H19BrO3 and a molecular weight of 363.25 g/mol. Its IUPAC name is (1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID125481616
Molecular FormulaC18H19BrO3
Molecular Weight363.25 g/mol
Exact Mass362.05
IUPAC Name(1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol
SMILESCOc1cc(C[C@]2(O)CCc3cccc(Br)c32)cc(OC)c1
InChIInChI=1S/C18H19BrO3/c1-21-14-8-12(9-15(10-14)22-2)11-18(20)7-6-13-4-3-5-16(19)17(13)18/h3-5,8-10,20H,6-7,11H2,1-2H3/t18-/m1/s1
InChIKeyZLSQCTVQRFCPEN-GOSISDBHSA-N
XLogP3.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117297692
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147763
1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371784
1-(3,5-dimethoxyphenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499236
2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
CID 71782171
N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 95983192
6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 79374000
2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 62620534
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzenesulfonamide
CID 90499095

Frequently Asked Questions

What is the IUPAC name of (1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of (1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol (CID 125481616) is (1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for (1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol is COc1cc(C[C@]2(O)CCc3cccc(Br)c32)cc(OC)c1.
What is the InChIKey of (1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is ZLSQCTVQRFCPEN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19BrO3/c1-21-14-8-12(9-15(10-14)22-2)11-18(20)7-6-13-4-3-5-16(19)17(13)18/h3-5,8-10,20H,6-7,11H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol?
(1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 363.25 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 125481616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).