(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol

C17H18Cl2O — CID 63428546

IUPAC(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2O/c1-11(2)9-12-3-5-13(6-4-12)17(20)14-7-8-15(18)16(19)10-14/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyJRSVYALQDGHAFM-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.27
Rot. Bonds4

About (3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol

(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol (PubChem CID 63428546) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
PubChem CID63428546
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2O/c1-11(2)9-12-3-5-13(6-4-12)17(20)14-7-8-15(18)16(19)10-14/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyJRSVYALQDGHAFM-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
(2-chlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428149
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838225
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
(4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol
CID 114637035
[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
CID 79217563
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
(3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 55133392
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069
(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol (CID 63428546) is (3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol is CC(C)Cc1ccc(C(O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol?
The InChIKey is JRSVYALQDGHAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-11(2)9-12-3-5-13(6-4-12)17(20)14-7-8-15(18)16(19)10-14/h3-8,10-11,17,20H,9H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol?
(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol has a molecular weight of 309.24 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 63428546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).