(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol

C18H14Cl2O — CID 81317253

IUPAC(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol
SMILESCc1cc(Cl)cc(C(O)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C18H14Cl2O/c1-11-8-12(10-13(19)9-11)18(21)16-6-7-17(20)15-5-3-2-4-14(15)16/h2-10,18,21H,1H3
InChIKeyHWCBOTPCDRLYJJ-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.54
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol

(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol (PubChem CID 81317253) has the molecular formula C18H14Cl2O and a molecular weight of 317.22 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol
PubChem CID81317253
Molecular FormulaC18H14Cl2O
Molecular Weight317.22 g/mol
Exact Mass316.04
IUPAC Name(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol
SMILESCc1cc(Cl)cc(C(O)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C18H14Cl2O/c1-11-8-12(10-13(19)9-11)18(21)16-6-7-17(20)15-5-3-2-4-14(15)16/h2-10,18,21H,1H3
InChIKeyHWCBOTPCDRLYJJ-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol
CID 79592562
1-[bromo-(3,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79593024
(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol
CID 79597180
(3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796099
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanol
CID 61083366
1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene
CID 79593014
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
CID 79596980
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 81324957
(3-chloro-5-methylphenyl)-(2,5-dibromophenyl)methanol
CID 81324953
(4-chloro-3-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 115818074
(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol
CID 107955684

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol?
The IUPAC name of (3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol (CID 81317253) is (3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol?
The canonical SMILES for (3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol is Cc1cc(Cl)cc(C(O)c2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol?
The InChIKey is HWCBOTPCDRLYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2O/c1-11-8-12(10-13(19)9-11)18(21)16-6-7-17(20)15-5-3-2-4-14(15)16/h2-10,18,21H,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol?
(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol has a molecular weight of 317.22 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol is sourced from PubChem (CID 81317253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).