1-(3-butylphenyl)butan-1-ol

C14H22O — CID 158563510

IUPAC1-(3-butylphenyl)butan-1-ol
SMILESCCCCc1cccc(C(O)CCC)c1
InChIInChI=1S/C14H22O/c1-3-5-8-12-9-6-10-13(11-12)14(15)7-4-2/h6,9-11,14-15H,3-5,7-8H2,1-2H3
InChIKeyHREJZJFPBRXUNG-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.86
Rot. Bonds6

About 1-(3-butylphenyl)butan-1-ol

1-(3-butylphenyl)butan-1-ol (PubChem CID 158563510) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(3-butylphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(3-butylphenyl)butan-1-ol
PubChem CID158563510
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(3-butylphenyl)butan-1-ol
SMILESCCCCc1cccc(C(O)CCC)c1
InChIInChI=1S/C14H22O/c1-3-5-8-12-9-6-10-13(11-12)14(15)7-4-2/h6,9-11,14-15H,3-5,7-8H2,1-2H3
InChIKeyHREJZJFPBRXUNG-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-butylphenyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(3-butylphenyl)propan-1-ol
CID 71229266
1-(4-butylphenyl)butan-1-ol
CID 61088483
1-(3-butylphenyl)-2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)ethanol
CID 162348115
3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol
CID 66743557
1-[3-(2-methylpropyl)phenyl]nonan-1-ol
CID 115838202
1-butyl-3-(1-phenylethyl)benzene
CID 141315490
2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide
CID 174633476
3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol
CID 42610605
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-decan-2-yl-3-octylbenzene
CID 173491759
1-(3-nonylphenyl)butane-1-sulfonic acid
CID 22156432

Frequently Asked Questions

What is the IUPAC name of 1-(3-butylphenyl)butan-1-ol?
The IUPAC name of 1-(3-butylphenyl)butan-1-ol (CID 158563510) is 1-(3-butylphenyl)butan-1-ol.
What is the SMILES notation for 1-(3-butylphenyl)butan-1-ol?
The canonical SMILES for 1-(3-butylphenyl)butan-1-ol is CCCCc1cccc(C(O)CCC)c1.
What is the InChIKey of 1-(3-butylphenyl)butan-1-ol?
The InChIKey is HREJZJFPBRXUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-5-8-12-9-6-10-13(11-12)14(15)7-4-2/h6,9-11,14-15H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(3-butylphenyl)butan-1-ol?
1-(3-butylphenyl)butan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butylphenyl)butan-1-ol is sourced from PubChem (CID 158563510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).