(4-butyl-2-chlorophenyl)methanol

C11H15ClO — CID 22508825

IUPAC(4-butyl-2-chlorophenyl)methanol
SMILESCCCCc1ccc(CO)c(Cl)c1
InChIInChI=1S/C11H15ClO/c1-2-3-4-9-5-6-10(8-13)11(12)7-9/h5-7,13H,2-4,8H2,1H3
InChIKeyPYWMWCWGGFYDKX-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.17
Rot. Bonds4

About (4-butyl-2-chlorophenyl)methanol

(4-butyl-2-chlorophenyl)methanol (PubChem CID 22508825) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is (4-butyl-2-chlorophenyl)methanol.

Molecular Properties

Compound Name(4-butyl-2-chlorophenyl)methanol
PubChem CID22508825
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name(4-butyl-2-chlorophenyl)methanol
SMILESCCCCc1ccc(CO)c(Cl)c1
InChIInChI=1S/C11H15ClO/c1-2-3-4-9-5-6-10(8-13)11(12)7-9/h5-7,13H,2-4,8H2,1H3
InChIKeyPYWMWCWGGFYDKX-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-propylphenyl)ethanol
CID 105425048
(4-butyl-2,6-dichlorophenyl)methanol
CID 66653370
2,4-dibutyl-1-chlorobenzene
CID 18417644
1-(4-butyl-2-chlorophenyl)ethanone
CID 106659109
(5-butyl-2-chloro-3-pyridinyl)methanol
CID 119083937
2-bromo-4-butyl-1-chlorobenzene
CID 50997862
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
4-butyl-2-chlorobenzaldehyde
CID 106659115
2-chloro-1-heptyl-4-(4-pentylphenyl)benzene
CID 67842492
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
2-butyl-5-pentadecylphenol
CID 175271686
2-chloro-4-heptylaniline
CID 21161447

Frequently Asked Questions

What is the IUPAC name of (4-butyl-2-chlorophenyl)methanol?
The IUPAC name of (4-butyl-2-chlorophenyl)methanol (CID 22508825) is (4-butyl-2-chlorophenyl)methanol.
What is the SMILES notation for (4-butyl-2-chlorophenyl)methanol?
The canonical SMILES for (4-butyl-2-chlorophenyl)methanol is CCCCc1ccc(CO)c(Cl)c1.
What is the InChIKey of (4-butyl-2-chlorophenyl)methanol?
The InChIKey is PYWMWCWGGFYDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-2-3-4-9-5-6-10(8-13)11(12)7-9/h5-7,13H,2-4,8H2,1H3.
What are the key properties of (4-butyl-2-chlorophenyl)methanol?
(4-butyl-2-chlorophenyl)methanol has a molecular weight of 198.69 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-2-chlorophenyl)methanol is sourced from PubChem (CID 22508825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).