(3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol

C18H20O3 — CID 79973193

IUPAC(3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cccc(C3CC3)c2)cc1OC
InChIInChI=1S/C18H20O3/c1-20-16-9-8-15(11-17(16)21-2)18(19)14-5-3-4-13(10-14)12-6-7-12/h3-5,8-12,18-19H,6-7H2,1-2H3
InChIKeyMKWYMRNLZVCZCV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.66
Rot. Bonds5

About (3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol

(3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol (PubChem CID 79973193) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol
PubChem CID79973193
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cccc(C3CC3)c2)cc1OC
InChIInChI=1S/C18H20O3/c1-20-16-9-8-15(11-17(16)21-2)18(19)14-5-3-4-13(10-14)12-6-7-12/h3-5,8-12,18-19H,6-7H2,1-2H3
InChIKeyMKWYMRNLZVCZCV-UHFFFAOYSA-N
XLogP3.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
(4-chlorophenyl)-(3-cyclopropylphenyl)methanol
CID 79979843
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
(5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol
CID 115839083
(3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol
CID 79980407
(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128110
(3-cyclopropylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 79980572
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115836236
[3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol
CID 54520451
(3-cyclopropylphenyl)-(1H-indol-5-yl)methanol
CID 81437598

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol?
The IUPAC name of (3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol (CID 79973193) is (3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol?
The canonical SMILES for (3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol is COc1ccc(C(O)c2cccc(C3CC3)c2)cc1OC.
What is the InChIKey of (3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol?
The InChIKey is MKWYMRNLZVCZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-20-16-9-8-15(11-17(16)21-2)18(19)14-5-3-4-13(10-14)12-6-7-12/h3-5,8-12,18-19H,6-7H2,1-2H3.
What are the key properties of (3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol?
(3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol has a molecular weight of 284.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 79973193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).