1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol

C13H20O2 — CID 62394123

IUPAC1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol
SMILESCOc1ccc(CC(O)C(C)(C)C)cc1
InChIInChI=1S/C13H20O2/c1-13(2,3)12(14)9-10-5-7-11(15-4)8-6-10/h5-8,12,14H,9H2,1-4H3
InChIKeyVXYRHBIKEOHVBA-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.64
Rot. Bonds3

About 1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol

1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol (PubChem CID 62394123) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol
PubChem CID62394123
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol
SMILESCOc1ccc(CC(O)C(C)(C)C)cc1
InChIInChI=1S/C13H20O2/c1-13(2,3)12(14)9-10-5-7-11(15-4)8-6-10/h5-8,12,14H,9H2,1-4H3
InChIKeyVXYRHBIKEOHVBA-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779
2-[(4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 69402022
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
1-(4-methoxyphenyl)-6,6-dimethylhept-4-yn-2-ol
CID 114190155
ethyl (2S)-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanoate
CID 71001645

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol (CID 62394123) is 1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol is COc1ccc(CC(O)C(C)(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is VXYRHBIKEOHVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(2,3)12(14)9-10-5-7-11(15-4)8-6-10/h5-8,12,14H,9H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol?
1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 62394123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).