2-[(3-chlorophenyl)methyl]naphthalen-1-ol

C17H13ClO — CID 15617863

IUPAC2-[(3-chlorophenyl)methyl]naphthalen-1-ol
SMILESOc1c(Cc2cccc(Cl)c2)ccc2ccccc12
InChIInChI=1S/C17H13ClO/c18-15-6-3-4-12(11-15)10-14-9-8-13-5-1-2-7-16(13)17(14)19/h1-9,11,19H,10H2
InChIKeyKWGHSFDXFQUJHX-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.79
Rot. Bonds2

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

2-[(3-chlorophenyl)methyl]naphthalen-1-ol (PubChem CID 15617863) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]naphthalen-1-ol
PubChem CID15617863
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name2-[(3-chlorophenyl)methyl]naphthalen-1-ol
SMILESOc1c(Cc2cccc(Cl)c2)ccc2ccccc12
InChIInChI=1S/C17H13ClO/c18-15-6-3-4-12(11-15)10-14-9-8-13-5-1-2-7-16(13)17(14)19/h1-9,11,19H,10H2
InChIKeyKWGHSFDXFQUJHX-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]naphthalen-1-ol?
The IUPAC name of 2-[(3-chlorophenyl)methyl]naphthalen-1-ol (CID 15617863) is 2-[(3-chlorophenyl)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]naphthalen-1-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]naphthalen-1-ol is Oc1c(Cc2cccc(Cl)c2)ccc2ccccc12.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]naphthalen-1-ol?
The InChIKey is KWGHSFDXFQUJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO/c18-15-6-3-4-12(11-15)10-14-9-8-13-5-1-2-7-16(13)17(14)19/h1-9,11,19H,10H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]naphthalen-1-ol?
2-[(3-chlorophenyl)methyl]naphthalen-1-ol has a molecular weight of 268.74 g/mol, XLogP of 4.79, 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]naphthalen-1-ol is sourced from PubChem (CID 15617863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).