1-(2,3-dimethylphenyl)-2-methylpropan-1-ol

C12H18O — CID 22486887

IUPAC1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
SMILESCc1cccc(C(O)C(C)C)c1C
InChIInChI=1S/C12H18O/c1-8(2)12(13)11-7-5-6-9(3)10(11)4/h5-8,12-13H,1-4H3
InChIKeyDDSMWSKKCBZCQI-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.99
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-2-methylpropan-1-ol

1-(2,3-dimethylphenyl)-2-methylpropan-1-ol (PubChem CID 22486887) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
PubChem CID22486887
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
SMILESCc1cccc(C(O)C(C)C)c1C
InChIInChI=1S/C12H18O/c1-8(2)12(13)11-7-5-6-9(3)10(11)4/h5-8,12-13H,1-4H3
InChIKeyDDSMWSKKCBZCQI-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
CID 63719064
1-(2,3-dimethylphenyl)-2-methoxypropan-1-ol
CID 79616060
2-[(2,3-dimethylphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 62396265
(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 131347710
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid
CID 171877230
1-(2,3-dimethylphenyl)-2,2-diethoxyethanol
CID 79496143
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
(4R,7S)-2,9-bis(2,3-dimethylphenyl)-3,4,7,8-tetrahydroxydecane-5,6-dione
CID 54403518
(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424313
1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol
CID 103449136
(2S)-2-(2,3-dimethylphenyl)propanoyl chloride
CID 177150078

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-methylpropan-1-ol (CID 22486887) is 1-(2,3-dimethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-methylpropan-1-ol is Cc1cccc(C(O)C(C)C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-methylpropan-1-ol?
The InChIKey is DDSMWSKKCBZCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-8(2)12(13)11-7-5-6-9(3)10(11)4/h5-8,12-13H,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-methylpropan-1-ol?
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol has a molecular weight of 178.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 22486887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).