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

C16H14Cl2O — CID 79980407

IUPAC(3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol
SMILESOC(c1cccc(C2CC2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2O/c17-14-7-6-13(9-15(14)18)16(19)12-3-1-2-11(8-12)10-4-5-10/h1-3,6-10,16,19H,4-5H2
InChIKeyGWXVIXKTHGZOQA-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.95
Rot. Bonds3

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

(3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol (PubChem CID 79980407) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is (3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol
PubChem CID79980407
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name(3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol
SMILESOC(c1cccc(C2CC2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2O/c17-14-7-6-13(9-15(14)18)16(19)12-3-1-2-11(8-12)10-4-5-10/h1-3,6-10,16,19H,4-5H2
InChIKeyGWXVIXKTHGZOQA-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-(3-cyclopropylphenyl)methanol
CID 79979843
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
(3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 79973193
(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128110
(R)-(3,4-dichlorophenyl)-(3-fluorophenyl)methanol
CID 7153378
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(3-cyclopropylphenyl)-(1H-indol-5-yl)methanol
CID 81437598
(3-cyclopropylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 79980572
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol
CID 114636920
3-[(3-cyclobutylphenyl)-hydroxymethyl]benzonitrile
CID 114601548

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol?
The IUPAC name of (3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol (CID 79980407) is (3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol.
What is the SMILES notation for (3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol?
The canonical SMILES for (3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol is OC(c1cccc(C2CC2)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol?
The InChIKey is GWXVIXKTHGZOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c17-14-7-6-13(9-15(14)18)16(19)12-3-1-2-11(8-12)10-4-5-10/h1-3,6-10,16,19H,4-5H2.
What are the key properties of (3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol?
(3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol has a molecular weight of 293.19 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol is sourced from PubChem (CID 79980407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).