2-(4-methylphenyl)-1-phenoxyethanol

C15H16O2 — CID 57226645

IUPAC2-(4-methylphenyl)-1-phenoxyethanol
SMILESCc1ccc(CC(O)Oc2ccccc2)cc1
InChIInChI=1S/C15H16O2/c1-12-7-9-13(10-8-12)11-15(16)17-14-5-3-2-4-6-14/h2-10,15-16H,11H2,1H3
InChIKeyFNIKYRSYVLNLMC-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-methylphenyl)-1-phenoxyethanol

2-(4-methylphenyl)-1-phenoxyethanol (PubChem CID 57226645) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-phenoxyethanol.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-phenoxyethanol
PubChem CID57226645
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-(4-methylphenyl)-1-phenoxyethanol
SMILESCc1ccc(CC(O)Oc2ccccc2)cc1
InChIInChI=1S/C15H16O2/c1-12-7-9-13(10-8-12)11-15(16)17-14-5-3-2-4-6-14/h2-10,15-16H,11H2,1H3
InChIKeyFNIKYRSYVLNLMC-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenoxy-2-phenylethanol
CID 54118978
ethane;1-ethoxy-2-(4-methylphenyl)ethanol
CID 143660250
[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
CID 124567142
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
CID 63017905
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
2-(4-methylphenoxy)-2-phenoxyacetic acid
CID 151278222
1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene
CID 67328041
1-(2-methoxyphenyl)-2-(4-methylphenyl)ethanol
CID 15638774
1,3-diphenylpropan-2-yloxybenzene
CID 54221058
1-(4-methylphenyl)-5-phenoxypentan-2-amine
CID 62936792

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-phenoxyethanol?
The IUPAC name of 2-(4-methylphenyl)-1-phenoxyethanol (CID 57226645) is 2-(4-methylphenyl)-1-phenoxyethanol.
What is the SMILES notation for 2-(4-methylphenyl)-1-phenoxyethanol?
The canonical SMILES for 2-(4-methylphenyl)-1-phenoxyethanol is Cc1ccc(CC(O)Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-phenoxyethanol?
The InChIKey is FNIKYRSYVLNLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-12-7-9-13(10-8-12)11-15(16)17-14-5-3-2-4-6-14/h2-10,15-16H,11H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-phenoxyethanol?
2-(4-methylphenyl)-1-phenoxyethanol has a molecular weight of 228.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-phenoxyethanol is sourced from PubChem (CID 57226645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).