benzene;2-methoxy-1-phenylethanol

C15H18O2 — CID 174622919

IUPACbenzene;2-methoxy-1-phenylethanol
SMILESCOCC(O)c1ccccc1.c1ccccc1
InChIInChI=1S/C9H12O2.C6H6/c1-11-7-9(10)8-5-3-2-4-6-8;1-2-4-6-5-3-1/h2-6,9-10H,7H2,1H3;1-6H
InChIKeyVTBAODBLOCTTSH-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.05
Rot. Bonds3

About benzene;2-methoxy-1-phenylethanol

benzene;2-methoxy-1-phenylethanol (PubChem CID 174622919) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is benzene;2-methoxy-1-phenylethanol.

Molecular Properties

Compound Namebenzene;2-methoxy-1-phenylethanol
PubChem CID174622919
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namebenzene;2-methoxy-1-phenylethanol
SMILESCOCC(O)c1ccccc1.c1ccccc1
InChIInChI=1S/C9H12O2.C6H6/c1-11-7-9(10)8-5-3-2-4-6-8;1-2-4-6-5-3-1/h2-6,9-10H,7H2,1H3;1-6H
InChIKeyVTBAODBLOCTTSH-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzene;2-methoxy-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-methoxy-1-phenylbutan-1-ol
CID 112704167
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
2-[4-(2-methoxyethyl)phenoxy]-1-phenylethanol
CID 60730618
1-phenyl-2-(1-phenylethoxy)ethanol
CID 57324442
ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene
CID 154661383
(2-hydroxy-2-phenylethyl) hypochlorite;scandium
CID 155773445
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
(1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10824468
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527

Frequently Asked Questions

What is the IUPAC name of benzene;2-methoxy-1-phenylethanol?
The IUPAC name of benzene;2-methoxy-1-phenylethanol (CID 174622919) is benzene;2-methoxy-1-phenylethanol.
What is the SMILES notation for benzene;2-methoxy-1-phenylethanol?
The canonical SMILES for benzene;2-methoxy-1-phenylethanol is COCC(O)c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;2-methoxy-1-phenylethanol?
The InChIKey is VTBAODBLOCTTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C6H6/c1-11-7-9(10)8-5-3-2-4-6-8;1-2-4-6-5-3-1/h2-6,9-10H,7H2,1H3;1-6H.
What are the key properties of benzene;2-methoxy-1-phenylethanol?
benzene;2-methoxy-1-phenylethanol has a molecular weight of 230.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-methoxy-1-phenylethanol is sourced from PubChem (CID 174622919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).