(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol

C18H21ClO — CID 81324135

IUPAC(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol
SMILESCCC(C)c1ccc(C(O)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C18H21ClO/c1-4-13(3)14-5-7-15(8-6-14)18(20)16-9-12(2)10-17(19)11-16/h5-11,13,18,20H,4H2,1-3H3
InChIKeyWXPVDJJYMPKNFG-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.24
Rot. Bonds4

About (4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol

(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol (PubChem CID 81324135) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol
PubChem CID81324135
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol
SMILESCCC(C)c1ccc(C(O)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C18H21ClO/c1-4-13(3)14-5-7-15(8-6-14)18(20)16-9-12(2)10-17(19)11-16/h5-11,13,18,20H,4H2,1-3H3
InChIKeyWXPVDJJYMPKNFG-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 81316592
(4-butylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324875
(4-chloro-3-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 115818074
1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879198
(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 104661029
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanol
CID 63426275
(4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63426051
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307
(3-bromo-4-chlorophenyl)-(4-butan-2-ylphenyl)methanol
CID 107991127
(3,5-dichlorophenyl)-(4-ethylphenyl)methanol
CID 61087745
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 115838406

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol?
The IUPAC name of (4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol (CID 81324135) is (4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol.
What is the SMILES notation for (4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol?
The canonical SMILES for (4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol is CCC(C)c1ccc(C(O)c2cc(C)cc(Cl)c2)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol?
The InChIKey is WXPVDJJYMPKNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-4-13(3)14-5-7-15(8-6-14)18(20)16-9-12(2)10-17(19)11-16/h5-11,13,18,20H,4H2,1-3H3.
What are the key properties of (4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol?
(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol has a molecular weight of 288.82 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol is sourced from PubChem (CID 81324135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).