[4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol

C20H25ClO — CID 57395756

IUPAC[4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2cccc(Cl)c2)c1CO
InChIInChI=1S/C20H25ClO/c1-13(2)17-10-15(20(3,4)5)11-18(19(17)12-22)14-7-6-8-16(21)9-14/h6-11,13,22H,12H2,1-5H3
InChIKeyZXUVPNIMXJHQNA-UHFFFAOYSA-N
MW316.87 g/mol
LogP5.92
Rot. Bonds3

About [4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol

[4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol (PubChem CID 57395756) has the molecular formula C20H25ClO and a molecular weight of 316.87 g/mol. Its IUPAC name is [4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol
PubChem CID57395756
Molecular FormulaC20H25ClO
Molecular Weight316.87 g/mol
Exact Mass316.16
IUPAC Name[4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2cccc(Cl)c2)c1CO
InChIInChI=1S/C20H25ClO/c1-13(2)17-10-15(20(3,4)5)11-18(19(17)12-22)14-7-6-8-16(21)9-14/h6-11,13,22H,12H2,1-5H3
InChIKeyZXUVPNIMXJHQNA-UHFFFAOYSA-N
XLogP5.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.87
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-Tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol
CID 15015051
[2-(3,5-Dimethylphenyl)-5-(2-methyloctan-2-yl)phenyl]methanol
CID 44431996
[4-Tert-butyl-2-(4-phenylphenyl)-6-propan-2-ylphenyl]methanol
CID 57390395
[4-Tert-butyl-2-(4-methylphenyl)-6-propan-2-ylphenyl]methanol
CID 57393988
[4-Tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol
CID 57393989
[4-Tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol
CID 57395757
(4-Tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol
CID 57397476
[4-Tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol
CID 57397531
[4-Tert-butyl-2-(4-chlorophenyl)-6-propan-2-ylphenyl]methanol
CID 57399210
1-[2-Chloro-4-(4-fluorophenyl)phenyl]hexane-1,6-diol
CID 49866046
[4-Tert-butyl-2-(2-methylphenyl)-6-propan-2-ylphenyl]methanol
CID 57392174
[4-Tert-butyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]phenyl]methanol
CID 57400887

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol?
The IUPAC name of [4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol (CID 57395756) is [4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol.
What is the SMILES notation for [4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol?
The canonical SMILES for [4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol is CC(C)c1cc(C(C)(C)C)cc(-c2cccc(Cl)c2)c1CO.
What is the InChIKey of [4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol?
The InChIKey is ZXUVPNIMXJHQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClO/c1-13(2)17-10-15(20(3,4)5)11-18(19(17)12-22)14-7-6-8-16(21)9-14/h6-11,13,22H,12H2,1-5H3.
What are the key properties of [4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol?
[4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol has a molecular weight of 316.87 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol is sourced from PubChem (CID 57395756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).