(5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol

C18H19ClO2 — CID 115839083

IUPAC(5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H19ClO2/c1-21-17-9-8-15(19)11-16(17)18(20)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-12,18,20H,2,4-5H2,1H3
InChIKeyIUJZZEPVQYMECZ-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.70
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol

(5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol (PubChem CID 115839083) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol
PubChem CID115839083
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name(5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H19ClO2/c1-21-17-9-8-15(19)11-16(17)18(20)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-12,18,20H,2,4-5H2,1H3
InChIKeyIUJZZEPVQYMECZ-UHFFFAOYSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
(3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 79973193
(4-chlorophenyl)-(3-cyclopropylphenyl)methanol
CID 79979843
(5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol
CID 104546174
(5-chloro-2-methoxyphenyl)-(3-propylphenyl)methanol
CID 115838131
(3-cyclobutylphenyl)-(2,4-dimethylphenyl)methanol
CID 114601241
(4-aminophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 106695594
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000
(4-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 63895530
(3-cyclopropylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 79980572
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115836236
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol (CID 115839083) is (5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol is COc1ccc(Cl)cc1C(O)c1cccc(C2CCC2)c1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol?
The InChIKey is IUJZZEPVQYMECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-21-17-9-8-15(19)11-16(17)18(20)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-12,18,20H,2,4-5H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol?
(5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol has a molecular weight of 302.80 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol is sourced from PubChem (CID 115839083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).