1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol

C16H14F2O2 — CID 79374991

IUPAC1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C16H14F2O2/c1-20-12-4-2-10-6-7-16(19,13(10)9-12)11-3-5-14(17)15(18)8-11/h2-5,8-9,19H,6-7H2,1H3
InChIKeyWFHPVGLQNNNAED-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.16
Rot. Bonds2

About 1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol

1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol (PubChem CID 79374991) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
PubChem CID79374991
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C16H14F2O2/c1-20-12-4-2-10-6-7-16(19,13(10)9-12)11-3-5-14(17)15(18)8-11/h2-5,8-9,19H,6-7H2,1H3
InChIKeyWFHPVGLQNNNAED-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol
CID 79373998
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
6-methoxy-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
CID 79371785
1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol
CID 62801026
1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 67059855
5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62800863
1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79371978
1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070046
4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 83069885
1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol
CID 171367787
6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol
CID 79374992
1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol (CID 79374991) is 1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol is COc1ccc2c(c1)C(O)(c1ccc(F)c(F)c1)CC2.
What is the InChIKey of 1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol?
The InChIKey is WFHPVGLQNNNAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-20-12-4-2-10-6-7-16(19,13(10)9-12)11-3-5-14(17)15(18)8-11/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol?
1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol has a molecular weight of 276.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79374991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).