1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol

C14H22O2 — CID 63018076

IUPAC1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
SMILESCOc1ccccc1CC(O)CC(C)(C)C
InChIInChI=1S/C14H22O2/c1-14(2,3)10-12(15)9-11-7-5-6-8-13(11)16-4/h5-8,12,15H,9-10H2,1-4H3
InChIKeySLRVAZIVQIGHHC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.03
Rot. Bonds4

About 1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol

1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol (PubChem CID 63018076) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
PubChem CID63018076
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
SMILESCOc1ccccc1CC(O)CC(C)(C)C
InChIInChI=1S/C14H22O2/c1-14(2,3)10-12(15)9-11-7-5-6-8-13(11)16-4/h5-8,12,15H,9-10H2,1-4H3
InChIKeySLRVAZIVQIGHHC-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol;4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol
CID 158657667
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
1-(2-methoxyphenyl)-3-(methylamino)propan-2-ol
CID 64983172
1-(dimethylamino)-3-(2-methoxyphenyl)propan-2-ol
CID 79088057
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
1-(2-methoxyphenyl)hexan-2-ol
CID 62607835
1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142108
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 54609120
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(4-tert-butylphenyl)-2-(2-methoxyphenyl)ethanol
CID 61089438

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol (CID 63018076) is 1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol is COc1ccccc1CC(O)CC(C)(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol?
The InChIKey is SLRVAZIVQIGHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2,3)10-12(15)9-11-7-5-6-8-13(11)16-4/h5-8,12,15H,9-10H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol?
1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 63018076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).