(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol

C18H15ClO — CID 79597180

IUPAC(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H15ClO/c1-12-6-2-3-7-13(12)18(20)16-10-11-17(19)15-9-5-4-8-14(15)16/h2-11,18,20H,1H3
InChIKeyXTLRPTYWRCYAFX-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.88
Rot. Bonds2

About (4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol

(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol (PubChem CID 79597180) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol
PubChem CID79597180
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H15ClO/c1-12-6-2-3-7-13(12)18(20)16-10-11-17(19)15-9-5-4-8-14(15)16/h2-11,18,20H,1H3
InChIKeyXTLRPTYWRCYAFX-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
(4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol
CID 79592562
(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanol
CID 114979219
(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol
CID 81317253
(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol
CID 107955684
(4-chloro-3-fluorophenyl)-(2-methylphenyl)methanol
CID 63895727
1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol
CID 79597742
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838
(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol
CID 3246100
(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
CID 106862775
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
CID 79592602

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol?
The IUPAC name of (4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol (CID 79597180) is (4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol?
The canonical SMILES for (4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol is Cc1ccccc1C(O)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol?
The InChIKey is XTLRPTYWRCYAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO/c1-12-6-2-3-7-13(12)18(20)16-10-11-17(19)15-9-5-4-8-14(15)16/h2-11,18,20H,1H3.
What are the key properties of (4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol?
(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol has a molecular weight of 282.77 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol is sourced from PubChem (CID 79597180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).