(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol

C17H17FO — CID 107128110

IUPAC(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cccc(C3CC3)c2)cc1F
InChIInChI=1S/C17H17FO/c1-11-5-6-15(10-16(11)18)17(19)14-4-2-3-13(9-14)12-7-8-12/h2-6,9-10,12,17,19H,7-8H2,1H3
InChIKeyNQHJOTYWXIUPCA-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.09
Rot. Bonds3

About (3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol

(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol (PubChem CID 107128110) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is (3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
PubChem CID107128110
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cccc(C3CC3)c2)cc1F
InChIInChI=1S/C17H17FO/c1-11-5-6-15(10-16(11)18)17(19)14-4-2-3-13(9-14)12-7-8-12/h2-6,9-10,12,17,19H,7-8H2,1H3
InChIKeyNQHJOTYWXIUPCA-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111
(3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512296
(4-chlorophenyl)-(3-cyclopropylphenyl)methanol
CID 79979843
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115839118
(3-cyclopropylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 79980572
(3-fluoro-4-methylphenyl)-(3-iodophenyl)methanol
CID 107130674
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208
(3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol
CID 79980407
(3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 79973193
[3-(dimethylamino)phenyl]-(3-fluoro-4-methylphenyl)methanol
CID 107130688
(3-cyclopropylphenyl)-(3-methylthiophen-2-yl)methanol
CID 79991292
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of (3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol (CID 107128110) is (3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2cccc(C3CC3)c2)cc1F.
What is the InChIKey of (3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is NQHJOTYWXIUPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-11-5-6-15(10-16(11)18)17(19)14-4-2-3-13(9-14)12-7-8-12/h2-6,9-10,12,17,19H,7-8H2,1H3.
What are the key properties of (3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol?
(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol has a molecular weight of 256.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 107128110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).