(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol

C16H17ClO2 — CID 115791592

IUPAC(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
SMILESCOc1cc(Cl)ccc1C(O)c1cccc(C)c1C
InChIInChI=1S/C16H17ClO2/c1-10-5-4-6-13(11(10)2)16(18)14-8-7-12(17)9-15(14)19-3/h4-9,16,18H,1-3H3
InChIKeyIYVPGWZPQRHTSR-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.05
Rot. Bonds3

About (4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol

(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol (PubChem CID 115791592) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
PubChem CID115791592
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
SMILESCOc1cc(Cl)ccc1C(O)c1cccc(C)c1C
InChIInChI=1S/C16H17ClO2/c1-10-5-4-6-13(11(10)2)16(18)14-8-7-12(17)9-15(14)19-3/h4-9,16,18H,1-3H3
InChIKeyIYVPGWZPQRHTSR-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426444
(S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129395304
(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61087207
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61100155
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313
(4-chloro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 107560197
(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 115833005
(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107098838
(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 115821652

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol (CID 115791592) is (4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol is COc1cc(Cl)ccc1C(O)c1cccc(C)c1C.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol?
The InChIKey is IYVPGWZPQRHTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-10-5-4-6-13(11(10)2)16(18)14-8-7-12(17)9-15(14)19-3/h4-9,16,18H,1-3H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol?
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol has a molecular weight of 276.76 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 115791592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).