2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol

C17H18O2 — CID 65147763

IUPAC2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
SMILESCOc1cccc(CC2(O)Cc3ccccc3C2)c1
InChIInChI=1S/C17H18O2/c1-19-16-8-4-5-13(9-16)10-17(18)11-14-6-2-3-7-15(14)12-17/h2-9,18H,10-12H2,1H3
InChIKeySUWWRKIECAVXTN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.77
Rot. Bonds3

About 2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol

2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol (PubChem CID 65147763) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
PubChem CID65147763
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
SMILESCOc1cccc(CC2(O)Cc3ccccc3C2)c1
InChIInChI=1S/C17H18O2/c1-19-16-8-4-5-13(9-16)10-17(18)11-14-6-2-3-7-15(14)12-17/h2-9,18H,10-12H2,1H3
InChIKeySUWWRKIECAVXTN-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 62620534
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 91631285
1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79862440
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
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(3-methoxyphenyl)(113C)methanol
CID 11593446
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 91631210
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
tert-butyl 4-hydroxy-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxylate
CID 134497156
1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117297692
1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
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1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol (CID 65147763) is 2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol is COc1cccc(CC2(O)Cc3ccccc3C2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol?
The InChIKey is SUWWRKIECAVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-16-8-4-5-13(9-16)10-17(18)11-14-6-2-3-7-15(14)12-17/h2-9,18H,10-12H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol?
2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol has a molecular weight of 254.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol is sourced from PubChem (CID 65147763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).