(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol

C18H19FO2 — CID 115836236

IUPAC(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2ccc(C3CCC3)cc2)ccc1F
InChIInChI=1S/C18H19FO2/c1-21-17-11-15(9-10-16(17)19)18(20)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18,20H,2-4H2,1H3
InChIKeyZQEQWYNFNGGZTR-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.18
Rot. Bonds4

About (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol

(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol (PubChem CID 115836236) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
PubChem CID115836236
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2ccc(C3CCC3)cc2)ccc1F
InChIInChI=1S/C18H19FO2/c1-21-17-11-15(9-10-16(17)19)18(20)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18,20H,2-4H2,1H3
InChIKeyZQEQWYNFNGGZTR-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105044855
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115838349
(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116505320
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
(3-chloro-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 114454040
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol (CID 115836236) is (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol is COc1cc(C(O)c2ccc(C3CCC3)cc2)ccc1F.
What is the InChIKey of (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol?
The InChIKey is ZQEQWYNFNGGZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-21-17-11-15(9-10-16(17)19)18(20)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18,20H,2-4H2,1H3.
What are the key properties of (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol?
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol has a molecular weight of 286.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 115836236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).