3-(3-hydroxy-2-methylpentyl)phenol

C12H18O2 — CID 19426978

IUPAC3-(3-hydroxy-2-methylpentyl)phenol
SMILESCCC(O)C(C)Cc1cccc(O)c1
InChIInChI=1S/C12H18O2/c1-3-12(14)9(2)7-10-5-4-6-11(13)8-10/h4-6,8-9,12-14H,3,7H2,1-2H3
InChIKeyMLRRUGBEEPKYPY-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.34
Rot. Bonds4

About 3-(3-hydroxy-2-methylpentyl)phenol

3-(3-hydroxy-2-methylpentyl)phenol (PubChem CID 19426978) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methylpentyl)phenol.

Molecular Properties

Compound Name3-(3-hydroxy-2-methylpentyl)phenol
PubChem CID19426978
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-(3-hydroxy-2-methylpentyl)phenol
SMILESCCC(O)C(C)Cc1cccc(O)c1
InChIInChI=1S/C12H18O2/c1-3-12(14)9(2)7-10-5-4-6-11(13)8-10/h4-6,8-9,12-14H,3,7H2,1-2H3
InChIKeyMLRRUGBEEPKYPY-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153
3-(2-sulfanylpropyl)phenol
CID 115013475
1-(3,5-dimethylphenyl)-2-methylpentan-3-ol
CID 63562396
3-(3-amino-2-methyl-3-phenylpropyl)phenol
CID 113460077
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
5-(3-hydroxyphenyl)pentane-1,3,4-triol
CID 175541454
3-(3-hydroxypentyl)phenol
CID 21193621
3-[2-(4-aminophenyl)propyl]phenol
CID 70385210
3-(2-nitropropyl)phenol
CID 55250663
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
(1S,2S)-1-amino-3-[3-[(2R,3S)-3-amino-3-hydroxy-2-methylpropyl]phenyl]-2-methylpropan-1-ol
CID 124639737
tetrakis(benzene-1,3-diol);2,3-dimethylpentane;propane
CID 159730044

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-methylpentyl)phenol?
The IUPAC name of 3-(3-hydroxy-2-methylpentyl)phenol (CID 19426978) is 3-(3-hydroxy-2-methylpentyl)phenol.
What is the SMILES notation for 3-(3-hydroxy-2-methylpentyl)phenol?
The canonical SMILES for 3-(3-hydroxy-2-methylpentyl)phenol is CCC(O)C(C)Cc1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxy-2-methylpentyl)phenol?
The InChIKey is MLRRUGBEEPKYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-12(14)9(2)7-10-5-4-6-11(13)8-10/h4-6,8-9,12-14H,3,7H2,1-2H3.
What are the key properties of 3-(3-hydroxy-2-methylpentyl)phenol?
3-(3-hydroxy-2-methylpentyl)phenol has a molecular weight of 194.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-methylpentyl)phenol is sourced from PubChem (CID 19426978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).