[3-(2-phenylmethoxyethyl)phenyl]methanol

C16H18O2 — CID 59371444

IUPAC[3-(2-phenylmethoxyethyl)phenyl]methanol
SMILESOCc1cccc(CCOCc2ccccc2)c1
InChIInChI=1S/C16H18O2/c17-12-16-8-4-7-14(11-16)9-10-18-13-15-5-2-1-3-6-15/h1-8,11,17H,9-10,12-13H2
InChIKeyFXIDIMAUUZEGSD-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.94
Rot. Bonds6

About [3-(2-phenylmethoxyethyl)phenyl]methanol

[3-(2-phenylmethoxyethyl)phenyl]methanol (PubChem CID 59371444) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is [3-(2-phenylmethoxyethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-phenylmethoxyethyl)phenyl]methanol
PubChem CID59371444
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name[3-(2-phenylmethoxyethyl)phenyl]methanol
SMILESOCc1cccc(CCOCc2ccccc2)c1
InChIInChI=1S/C16H18O2/c17-12-16-8-4-7-14(11-16)9-10-18-13-15-5-2-1-3-6-15/h1-8,11,17H,9-10,12-13H2
InChIKeyFXIDIMAUUZEGSD-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.94
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

[3-(6-phenylhexyl)phenyl]methanol
CID 139920561
1-(2-bromoethyl)-3-(3-phenylmethoxypropoxymethyl)benzene
CID 69436403
1-iodo-3-(2-phenylethoxymethyl)benzene
CID 59371407
4-[[3-(hydroxymethyl)phenyl]methoxymethyl]benzoic acid
CID 146227717
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674
(1S)-1-deuterio-2-phenylmethoxyethanol
CID 136712283
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
[3-(2-bromoethyl)phenyl]methanol
CID 86049063
[1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol
CID 155905737
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
1-(2-phenylmethoxyethyl)naphthalene
CID 71507589

Frequently Asked Questions

What is the IUPAC name of [3-(2-phenylmethoxyethyl)phenyl]methanol?
The IUPAC name of [3-(2-phenylmethoxyethyl)phenyl]methanol (CID 59371444) is [3-(2-phenylmethoxyethyl)phenyl]methanol.
What is the SMILES notation for [3-(2-phenylmethoxyethyl)phenyl]methanol?
The canonical SMILES for [3-(2-phenylmethoxyethyl)phenyl]methanol is OCc1cccc(CCOCc2ccccc2)c1.
What is the InChIKey of [3-(2-phenylmethoxyethyl)phenyl]methanol?
The InChIKey is FXIDIMAUUZEGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c17-12-16-8-4-7-14(11-16)9-10-18-13-15-5-2-1-3-6-15/h1-8,11,17H,9-10,12-13H2.
What are the key properties of [3-(2-phenylmethoxyethyl)phenyl]methanol?
[3-(2-phenylmethoxyethyl)phenyl]methanol has a molecular weight of 242.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenylmethoxyethyl)phenyl]methanol is sourced from PubChem (CID 59371444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).