(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol

C17H19ClO2 — CID 115795362

IUPAC(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClO2/c1-3-10-20-15-8-6-13(7-9-15)17(19)14-5-4-12(2)16(18)11-14/h4-9,11,17,19H,3,10H2,1-2H3
InChIKeyOMADWCLFGJXFQR-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.52
Rot. Bonds5

About (3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol

(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol (PubChem CID 115795362) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol
PubChem CID115795362
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClO2/c1-3-10-20-15-8-6-13(7-9-15)17(19)14-5-4-12(2)16(18)11-14/h4-9,11,17,19H,3,10H2,1-2H3
InChIKeyOMADWCLFGJXFQR-UHFFFAOYSA-N
XLogP4.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
(3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 55133392
(4-ethylphenyl)-(4-propoxyphenyl)methanol
CID 62796114
(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol
CID 79781093
(6-methyl-3-pyridinyl)-(4-propoxyphenyl)methanol
CID 63895736
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
CID 63082099
(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 65296780
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661
bis(4-octoxyphenyl)methanol
CID 139262063
(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 107991347
(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol
CID 104661171
(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol
CID 81476153

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol?
The IUPAC name of (3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol (CID 115795362) is (3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol is CCCOc1ccc(C(O)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol?
The InChIKey is OMADWCLFGJXFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-3-10-20-15-8-6-13(7-9-15)17(19)14-5-4-12(2)16(18)11-14/h4-9,11,17,19H,3,10H2,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol?
(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol has a molecular weight of 290.79 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol is sourced from PubChem (CID 115795362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).