2-[(4-chlorophenyl)methyl]butan-1-ol

C11H15ClO — CID 50898989

IUPAC2-[(4-chlorophenyl)methyl]butan-1-ol
SMILESCCC(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO/c1-2-9(8-13)7-10-3-5-11(12)6-4-10/h3-6,9,13H,2,7-8H2,1H3
InChIKeyGXLNZLYPKFGOPX-UHFFFAOYSA-N
MW198.69 g/mol
LogP2.90
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]butan-1-ol

2-[(4-chlorophenyl)methyl]butan-1-ol (PubChem CID 50898989) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]butan-1-ol
PubChem CID50898989
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2-[(4-chlorophenyl)methyl]butan-1-ol
SMILESCCC(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO/c1-2-9(8-13)7-10-3-5-11(12)6-4-10/h3-6,9,13H,2,7-8H2,1H3
InChIKeyGXLNZLYPKFGOPX-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-chlorophenyl)methyl]hexan-1-ol
CID 143267872
2-[(4-chlorophenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734361
4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol
CID 66058003
2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol
CID 103041980
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(4-chlorophenyl)propan-1-ol
CID 66059463
2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol
CID 116930771
2-[(4-chloroanilino)methyl]butan-1-ol
CID 15086649
1-(4-chlorophenyl)-4-(hydroxymethyl)-5-(4-methoxyphenyl)pentan-2-one
CID 162097105
N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
CID 62531188
2-[(4-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63498649
2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
CID 103041973
2-[(4-chlorophenyl)methyl]-4-(trifluoromethylsulfanyl)butan-1-ol
CID 116627893

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]butan-1-ol?
The IUPAC name of 2-[(4-chlorophenyl)methyl]butan-1-ol (CID 50898989) is 2-[(4-chlorophenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]butan-1-ol?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]butan-1-ol is CCC(CO)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]butan-1-ol?
The InChIKey is GXLNZLYPKFGOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-2-9(8-13)7-10-3-5-11(12)6-4-10/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]butan-1-ol?
2-[(4-chlorophenyl)methyl]butan-1-ol has a molecular weight of 198.69 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]butan-1-ol is sourced from PubChem (CID 50898989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).