2-(4-methoxyphenyl)butan-2-ol

C11H16O2 — CID 10307904

IUPAC2-(4-methoxyphenyl)butan-2-ol
SMILESCCC(C)(O)c1ccc(OC)cc1
InChIInChI=1S/C11H16O2/c1-4-11(2,12)9-5-7-10(13-3)8-6-9/h5-8,12H,4H2,1-3H3
InChIKeyAAMGLJLQWOAEGW-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.31
Rot. Bonds3

About 2-(4-methoxyphenyl)butan-2-ol

2-(4-methoxyphenyl)butan-2-ol (PubChem CID 10307904) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)butan-2-ol
PubChem CID10307904
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(4-methoxyphenyl)butan-2-ol
SMILESCCC(C)(O)c1ccc(OC)cc1
InChIInChI=1S/C11H16O2/c1-4-11(2,12)9-5-7-10(13-3)8-6-9/h5-8,12H,4H2,1-3H3
InChIKeyAAMGLJLQWOAEGW-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756
2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol
CID 114209720
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
CID 22051947
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol
CID 66002453
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
2-(6-methoxynaphthalen-2-yl)hexan-2-ol
CID 71294239
[2-hydroxy-2-(4-methoxyphenyl)propyl] nitrate
CID 10751764
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of 2-(4-methoxyphenyl)butan-2-ol (CID 10307904) is 2-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 2-(4-methoxyphenyl)butan-2-ol is CCC(C)(O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)butan-2-ol?
The InChIKey is AAMGLJLQWOAEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-11(2,12)9-5-7-10(13-3)8-6-9/h5-8,12H,4H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)butan-2-ol?
2-(4-methoxyphenyl)butan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 10307904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).