2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol

C13H20O2 — CID 116543527

IUPAC2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
SMILESCOCC(O)c1cccc(CC(C)C)c1
InChIInChI=1S/C13H20O2/c1-10(2)7-11-5-4-6-12(8-11)13(14)9-15-3/h4-6,8,10,13-14H,7,9H2,1-3H3
InChIKeyDYDMNAYYOQVQIX-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.56
Rot. Bonds5

About 2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol

2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol (PubChem CID 116543527) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
PubChem CID116543527
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
SMILESCOCC(O)c1cccc(CC(C)C)c1
InChIInChI=1S/C13H20O2/c1-10(2)7-11-5-4-6-12(8-11)13(14)9-15-3/h4-6,8,10,13-14H,7,9H2,1-3H3
InChIKeyDYDMNAYYOQVQIX-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol
CID 156764154
3,3,4,4,4-pentafluoro-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 156764542
1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474140
1-[3-(2-methylpropyl)phenyl]nonan-1-ol
CID 115838202
1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
CID 116543492
2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713134
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
benzene;2-methoxy-1-phenylethanol
CID 174622919
2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543713
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777
2-methoxy-1-(3-methylsulfonylphenyl)ethanol
CID 115819101
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol (CID 116543527) is 2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol is COCC(O)c1cccc(CC(C)C)c1.
What is the InChIKey of 2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol?
The InChIKey is DYDMNAYYOQVQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)7-11-5-4-6-12(8-11)13(14)9-15-3/h4-6,8,10,13-14H,7,9H2,1-3H3.
What are the key properties of 2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol?
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol has a molecular weight of 208.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 116543527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).