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

C18H19ClO — CID 115836307

IUPAC(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(C3CCC3)cc2)ccc1Cl
InChIInChI=1S/C18H19ClO/c1-12-11-16(9-10-17(12)19)18(20)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,18,20H,2-4H2,1H3
InChIKeyXEGWUIPSUGROJN-UHFFFAOYSA-N
MW286.80 g/mol
LogP5.00
Rot. Bonds3

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

(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol (PubChem CID 115836307) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
PubChem CID115836307
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(C3CCC3)cc2)ccc1Cl
InChIInChI=1S/C18H19ClO/c1-12-11-16(9-10-17(12)19)18(20)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,18,20H,2-4H2,1H3
InChIKeyXEGWUIPSUGROJN-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine
CID 105044946
(4-bromo-3-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836272
(4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836232
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111
(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 107947823
(3-chloro-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 114454040
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115836236
(3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 116505775
1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
CID 105053787
(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116505320
(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol
CID 113397251

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol?
The IUPAC name of (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol (CID 115836307) is (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol?
The canonical SMILES for (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol is Cc1cc(C(O)c2ccc(C3CCC3)cc2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol?
The InChIKey is XEGWUIPSUGROJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-12-11-16(9-10-17(12)19)18(20)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,18,20H,2-4H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol?
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol has a molecular weight of 286.80 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol is sourced from PubChem (CID 115836307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).