2-(4-methylphenyl)-5-phenoxypentan-1-ol

C18H22O2 — CID 79437004

IUPAC2-(4-methylphenyl)-5-phenoxypentan-1-ol
SMILESCc1ccc(C(CO)CCCOc2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-15-9-11-16(12-10-15)17(14-19)6-5-13-20-18-7-3-2-4-8-18/h2-4,7-12,17,19H,5-6,13-14H2,1H3
InChIKeyYJOAAIWQWCROMU-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.93
Rot. Bonds7

About 2-(4-methylphenyl)-5-phenoxypentan-1-ol

2-(4-methylphenyl)-5-phenoxypentan-1-ol (PubChem CID 79437004) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-phenoxypentan-1-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-phenoxypentan-1-ol
PubChem CID79437004
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-(4-methylphenyl)-5-phenoxypentan-1-ol
SMILESCc1ccc(C(CO)CCCOc2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-15-9-11-16(12-10-15)17(14-19)6-5-13-20-18-7-3-2-4-8-18/h2-4,7-12,17,19H,5-6,13-14H2,1H3
InChIKeyYJOAAIWQWCROMU-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.93
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

(1-bromo-5-phenoxypentan-2-yl)benzene
CID 66042259
1-(4-methylphenyl)-5-phenoxypentan-2-amine
CID 62936792
4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138462
3-(3-phenoxypropyl)pentane-2,4-dione
CID 30842809
1-methyl-4-(3-phenoxypropylsulfanyl)benzene
CID 101473758
2-(3-chlorophenyl)-4-phenoxybutan-1-ol
CID 79443608
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
6-phenoxy-2-phenylhexan-1-amine
CID 79015445
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
3-(4-methylphenoxy)propoxy-phenylmethanol
CID 57023348
2-[4-(4-octoxyphenyl)phenyl]propane-1,3-diol
CID 70414830
N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine
CID 62110034

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-phenoxypentan-1-ol?
The IUPAC name of 2-(4-methylphenyl)-5-phenoxypentan-1-ol (CID 79437004) is 2-(4-methylphenyl)-5-phenoxypentan-1-ol.
What is the SMILES notation for 2-(4-methylphenyl)-5-phenoxypentan-1-ol?
The canonical SMILES for 2-(4-methylphenyl)-5-phenoxypentan-1-ol is Cc1ccc(C(CO)CCCOc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-phenoxypentan-1-ol?
The InChIKey is YJOAAIWQWCROMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-15-9-11-16(12-10-15)17(14-19)6-5-13-20-18-7-3-2-4-8-18/h2-4,7-12,17,19H,5-6,13-14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-phenoxypentan-1-ol?
2-(4-methylphenyl)-5-phenoxypentan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-phenoxypentan-1-ol is sourced from PubChem (CID 79437004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).