2-(4-chloronaphthalen-1-yl)phenol

C16H11ClO — CID 175271825

IUPAC2-(4-chloronaphthalen-1-yl)phenol
SMILESOc1ccccc1-c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H11ClO/c17-15-10-9-12(11-5-1-2-6-13(11)15)14-7-3-4-8-16(14)18/h1-10,18H
InChIKeyQWLIBPJBORJVQF-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.87
Rot. Bonds1

About 2-(4-chloronaphthalen-1-yl)phenol

2-(4-chloronaphthalen-1-yl)phenol (PubChem CID 175271825) has the molecular formula C16H11ClO and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)phenol.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)phenol
PubChem CID175271825
Molecular FormulaC16H11ClO
Molecular Weight254.72 g/mol
Exact Mass254.05
IUPAC Name2-(4-chloronaphthalen-1-yl)phenol
SMILESOc1ccccc1-c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H11ClO/c17-15-10-9-12(11-5-1-2-6-13(11)15)14-7-3-4-8-16(14)18/h1-10,18H
InChIKeyQWLIBPJBORJVQF-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoronaphthalen-1-yl)phenol
CID 174532409
2-(4-methylnaphthalen-1-yl)phenol
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2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
9-[2-(4-chloronaphthalen-1-yl)phenyl]thioxanthen-9-ol
CID 147654542
3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride
CID 115059720
2-[2-[4-[2-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenol
CID 71519972
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
2-(4,5-diamino-2-chlorophenyl)phenol
CID 153360343
4-(4-chloronaphthalen-1-yl)aniline
CID 79597038
1,4-dichloronaphthalen-2-ol
CID 12578005
3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride
CID 139370357
2-(4-chloronaphthalen-1-yl)-5-methylaniline
CID 82766855

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)phenol?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)phenol (CID 175271825) is 2-(4-chloronaphthalen-1-yl)phenol.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)phenol?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)phenol is Oc1ccccc1-c1ccc(Cl)c2ccccc12.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)phenol?
The InChIKey is QWLIBPJBORJVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO/c17-15-10-9-12(11-5-1-2-6-13(11)15)14-7-3-4-8-16(14)18/h1-10,18H.
What are the key properties of 2-(4-chloronaphthalen-1-yl)phenol?
2-(4-chloronaphthalen-1-yl)phenol has a molecular weight of 254.72 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)phenol is sourced from PubChem (CID 175271825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).