(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol

C18H21ClO — CID 115838225

IUPAC(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCc1cc(C(O)c2cccc(CC(C)C)c2)ccc1Cl
InChIInChI=1S/C18H21ClO/c1-12(2)9-14-5-4-6-15(11-14)18(20)16-7-8-17(19)13(3)10-16/h4-8,10-12,18,20H,9H2,1-3H3
InChIKeyNRXSOQCFQUKEOP-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.93
Rot. Bonds4

About (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol

(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol (PubChem CID 115838225) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
PubChem CID115838225
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCc1cc(C(O)c2cccc(CC(C)C)c2)ccc1Cl
InChIInChI=1S/C18H21ClO/c1-12(2)9-14-5-4-6-15(11-14)18(20)16-7-8-17(19)13(3)10-16/h4-8,10-12,18,20H,9H2,1-3H3
InChIKeyNRXSOQCFQUKEOP-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050742
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777
(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838197
(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428546
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838226
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
[(3-chloro-4-methylphenyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105340693
(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543738
(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542679
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol
CID 113397251

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol (CID 115838225) is (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol is Cc1cc(C(O)c2cccc(CC(C)C)c2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol?
The InChIKey is NRXSOQCFQUKEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-12(2)9-14-5-4-6-15(11-14)18(20)16-7-8-17(19)13(3)10-16/h4-8,10-12,18,20H,9H2,1-3H3.
What are the key properties of (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol?
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol has a molecular weight of 288.82 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 115838225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).