4-(3,4-dihexylphenyl)butan-1-ol

C22H38O — CID 169030175

IUPAC4-(3,4-dihexylphenyl)butan-1-ol
SMILESCCCCCCc1ccc(CCCCO)cc1CCCCCC
InChIInChI=1S/C22H38O/c1-3-5-7-9-14-21-17-16-20(13-11-12-18-23)19-22(21)15-10-8-6-4-2/h16-17,19,23H,3-15,18H2,1-2H3
InChIKeyLOCNYDYREJUQGP-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.25
Rot. Bonds14

About 4-(3,4-dihexylphenyl)butan-1-ol

4-(3,4-dihexylphenyl)butan-1-ol (PubChem CID 169030175) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 4-(3,4-dihexylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(3,4-dihexylphenyl)butan-1-ol
PubChem CID169030175
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name4-(3,4-dihexylphenyl)butan-1-ol
SMILESCCCCCCc1ccc(CCCCO)cc1CCCCCC
InChIInChI=1S/C22H38O/c1-3-5-7-9-14-21-17-16-20(13-11-12-18-23)19-22(21)15-10-8-6-4-2/h16-17,19,23H,3-15,18H2,1-2H3
InChIKeyLOCNYDYREJUQGP-UHFFFAOYSA-N
XLogP6.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-nonyl-2-pentylphenol
CID 86162849
5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol
CID 118150631
2-butyl-5-pentadecylphenol
CID 175271686
4-[4-butyl-3-(4-sulfanylbutyl)phenyl]butane-1-thiol
CID 88742598
2-ethyl-4-heptylphenol
CID 58289223
4-[[4-[8-[4-[(4-aminophenyl)methyl]-3-heptylphenyl]octyl]-2-heptylphenyl]methyl]aniline
CID 22919636
4-[[4-[4-[4-[(4-aminophenyl)methyl]-3-hexylphenyl]butyl]-2-hexylphenyl]methyl]aniline
CID 22919512
3-(3,4-diheptylphenoxy)propan-1-ol
CID 21351892
1,2-bis(bromomethyl)-4-decylbenzene
CID 139761482
bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane
CID 57324563
(2,4-didecylphenoxy)boronic acid
CID 157267410
bis[2,4-di(nonyl)phenyl] carbonate
CID 141039917

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihexylphenyl)butan-1-ol?
The IUPAC name of 4-(3,4-dihexylphenyl)butan-1-ol (CID 169030175) is 4-(3,4-dihexylphenyl)butan-1-ol.
What is the SMILES notation for 4-(3,4-dihexylphenyl)butan-1-ol?
The canonical SMILES for 4-(3,4-dihexylphenyl)butan-1-ol is CCCCCCc1ccc(CCCCO)cc1CCCCCC.
What is the InChIKey of 4-(3,4-dihexylphenyl)butan-1-ol?
The InChIKey is LOCNYDYREJUQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-3-5-7-9-14-21-17-16-20(13-11-12-18-23)19-22(21)15-10-8-6-4-2/h16-17,19,23H,3-15,18H2,1-2H3.
What are the key properties of 4-(3,4-dihexylphenyl)butan-1-ol?
4-(3,4-dihexylphenyl)butan-1-ol has a molecular weight of 318.55 g/mol, XLogP of 6.25, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihexylphenyl)butan-1-ol is sourced from PubChem (CID 169030175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).