1-[4-(4-pentylphenyl)phenyl]ethanol

C19H24O — CID 14297725

IUPAC1-[4-(4-pentylphenyl)phenyl]ethanol
SMILESCCCCCc1ccc(-c2ccc(C(C)O)cc2)cc1
InChIInChI=1S/C19H24O/c1-3-4-5-6-16-7-9-18(10-8-16)19-13-11-17(12-14-19)15(2)20/h7-15,20H,3-6H2,1-2H3
InChIKeyOFGWKMWRSBMRDT-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.14
Rot. Bonds6

About 1-[4-(4-pentylphenyl)phenyl]ethanol

1-[4-(4-pentylphenyl)phenyl]ethanol (PubChem CID 14297725) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-(4-pentylphenyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(4-pentylphenyl)phenyl]ethanol
PubChem CID14297725
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-[4-(4-pentylphenyl)phenyl]ethanol
SMILESCCCCCc1ccc(-c2ccc(C(C)O)cc2)cc1
InChIInChI=1S/C19H24O/c1-3-4-5-6-16-7-9-18(10-8-16)19-13-11-17(12-14-19)15(2)20/h7-15,20H,3-6H2,1-2H3
InChIKeyOFGWKMWRSBMRDT-UHFFFAOYSA-N
XLogP5.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.14
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

(1S)-1-(4-octylphenyl)ethanol
CID 67859464
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
1-[4-(4-hexylphenyl)phenyl]propan-1-ol
CID 19979106
1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol
CID 139765630
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
bis(4-tridecylphenyl)methanol
CID 139673626
1-[4-(4-ethylphenyl)phenyl]ethanol
CID 139710223
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-(diethoxymethyl)-4-(4-heptylphenyl)benzene
CID 146004754
1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol
CID 158673942

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pentylphenyl)phenyl]ethanol?
The IUPAC name of 1-[4-(4-pentylphenyl)phenyl]ethanol (CID 14297725) is 1-[4-(4-pentylphenyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(4-pentylphenyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(4-pentylphenyl)phenyl]ethanol is CCCCCc1ccc(-c2ccc(C(C)O)cc2)cc1.
What is the InChIKey of 1-[4-(4-pentylphenyl)phenyl]ethanol?
The InChIKey is OFGWKMWRSBMRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-3-4-5-6-16-7-9-18(10-8-16)19-13-11-17(12-14-19)15(2)20/h7-15,20H,3-6H2,1-2H3.
What are the key properties of 1-[4-(4-pentylphenyl)phenyl]ethanol?
1-[4-(4-pentylphenyl)phenyl]ethanol has a molecular weight of 268.40 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pentylphenyl)phenyl]ethanol is sourced from PubChem (CID 14297725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).