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

C16H15ClO — CID 60799487

IUPAC2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol
SMILESOC1(Cc2cccc(Cl)c2)Cc2ccccc2C1
InChIInChI=1S/C16H15ClO/c17-15-7-3-4-12(8-15)9-16(18)10-13-5-1-2-6-14(13)11-16/h1-8,18H,9-11H2
InChIKeyDOQVDBFWGYEUTN-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.41
Rot. Bonds2

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

2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol (PubChem CID 60799487) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol
PubChem CID60799487
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol
SMILESOC1(Cc2cccc(Cl)c2)Cc2ccccc2C1
InChIInChI=1S/C16H15ClO/c17-15-7-3-4-12(8-15)9-16(18)10-13-5-1-2-6-14(13)11-16/h1-8,18H,9-11H2
InChIKeyDOQVDBFWGYEUTN-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol (CID 60799487) is 2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol is OC1(Cc2cccc(Cl)c2)Cc2ccccc2C1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol?
The InChIKey is DOQVDBFWGYEUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c17-15-7-3-4-12(8-15)9-16(18)10-13-5-1-2-6-14(13)11-16/h1-8,18H,9-11H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol?
2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol has a molecular weight of 258.75 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol is sourced from PubChem (CID 60799487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).