(4-butyl-2,6-dichlorophenyl)methanol

C11H14Cl2O — CID 66653370

IUPAC(4-butyl-2,6-dichlorophenyl)methanol
SMILESCCCCc1cc(Cl)c(CO)c(Cl)c1
InChIInChI=1S/C11H14Cl2O/c1-2-3-4-8-5-10(12)9(7-14)11(13)6-8/h5-6,14H,2-4,7H2,1H3
InChIKeyYJZKXYYSALQBAI-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.83
Rot. Bonds4

About (4-butyl-2,6-dichlorophenyl)methanol

(4-butyl-2,6-dichlorophenyl)methanol (PubChem CID 66653370) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is (4-butyl-2,6-dichlorophenyl)methanol.

Molecular Properties

Compound Name(4-butyl-2,6-dichlorophenyl)methanol
PubChem CID66653370
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name(4-butyl-2,6-dichlorophenyl)methanol
SMILESCCCCc1cc(Cl)c(CO)c(Cl)c1
InChIInChI=1S/C11H14Cl2O/c1-2-3-4-8-5-10(12)9(7-14)11(13)6-8/h5-6,14H,2-4,7H2,1H3
InChIKeyYJZKXYYSALQBAI-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4,6-tributylphenyl)methanol
CID 21099541
(4-butyl-2-chlorophenyl)methanol
CID 22508825
3,5-dibutylphenol
CID 15936149
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
1-(4-butyl-2-chlorophenyl)ethanone
CID 106659109
(5-butyl-2-chloro-3-pyridinyl)methanol
CID 119083937
(3-butoxy-5-butylphenyl)methanol
CID 118269486
[3-butyl-5-(trifluoromethyl)phenyl]methanol
CID 118268639
2,4-dibutyl-1-chlorobenzene
CID 18417644
1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
CID 101311557
3-butyl-5-propylphenol
CID 69337384
4-butyl-2-chlorobenzaldehyde
CID 106659115

Frequently Asked Questions

What is the IUPAC name of (4-butyl-2,6-dichlorophenyl)methanol?
The IUPAC name of (4-butyl-2,6-dichlorophenyl)methanol (CID 66653370) is (4-butyl-2,6-dichlorophenyl)methanol.
What is the SMILES notation for (4-butyl-2,6-dichlorophenyl)methanol?
The canonical SMILES for (4-butyl-2,6-dichlorophenyl)methanol is CCCCc1cc(Cl)c(CO)c(Cl)c1.
What is the InChIKey of (4-butyl-2,6-dichlorophenyl)methanol?
The InChIKey is YJZKXYYSALQBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-2-3-4-8-5-10(12)9(7-14)11(13)6-8/h5-6,14H,2-4,7H2,1H3.
What are the key properties of (4-butyl-2,6-dichlorophenyl)methanol?
(4-butyl-2,6-dichlorophenyl)methanol has a molecular weight of 233.14 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-2,6-dichlorophenyl)methanol is sourced from PubChem (CID 66653370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).