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

C20H26O2 — CID 139765630

IUPAC1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol
SMILESCCCCCc1ccc(COc2ccc(C(C)O)cc2)cc1
InChIInChI=1S/C20H26O2/c1-3-4-5-6-17-7-9-18(10-8-17)15-22-20-13-11-19(12-14-20)16(2)21/h7-14,16,21H,3-6,15H2,1-2H3
InChIKeyKVQBAWYEVMWHDW-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.05
Rot. Bonds8

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

1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol (PubChem CID 139765630) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol
PubChem CID139765630
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol
SMILESCCCCCc1ccc(COc2ccc(C(C)O)cc2)cc1
InChIInChI=1S/C20H26O2/c1-3-4-5-6-17-7-9-18(10-8-17)15-22-20-13-11-19(12-14-20)16(2)21/h7-14,16,21H,3-6,15H2,1-2H3
InChIKeyKVQBAWYEVMWHDW-UHFFFAOYSA-N
XLogP5.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-4-[(4-pentylphenyl)methoxy]benzene
CID 142992218
1-[4-(4-pentylphenyl)phenyl]ethanol
CID 14297725
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
pentafluoro-[4-[(4-pentylphenyl)methoxy]phenyl]-λ6-sulfane
CID 54227321
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol (CID 139765630) is 1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol is CCCCCc1ccc(COc2ccc(C(C)O)cc2)cc1.
What is the InChIKey of 1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol?
The InChIKey is KVQBAWYEVMWHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-3-4-5-6-17-7-9-18(10-8-17)15-22-20-13-11-19(12-14-20)16(2)21/h7-14,16,21H,3-6,15H2,1-2H3.
What are the key properties of 1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol?
1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol has a molecular weight of 298.43 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 139765630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).