2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol

C15H24O — CID 169444062

IUPAC2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol
SMILESCC(CO)Cc1ccc(C(C)C(C)C)cc1
InChIInChI=1S/C15H24O/c1-11(2)13(4)15-7-5-14(6-8-15)9-12(3)10-16/h5-8,11-13,16H,9-10H2,1-4H3
InChIKeyZLPVIHWEQCWRGW-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.62
Rot. Bonds5

About 2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol

2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol (PubChem CID 169444062) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol
PubChem CID169444062
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol
SMILESCC(CO)Cc1ccc(C(C)C(C)C)cc1
InChIInChI=1S/C15H24O/c1-11(2)13(4)15-7-5-14(6-8-15)9-12(3)10-16/h5-8,11-13,16H,9-10H2,1-4H3
InChIKeyZLPVIHWEQCWRGW-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
[4-(3-methylbutan-2-yl)phenyl]methanamine
CID 115015008
3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
CID 83138672
2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 15136722
(2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 124510585
[6-(3-methylbutan-2-yl)naphthalen-2-yl]methanol
CID 153437397
2-methyl-3-(6-methyl-3-pyridinyl)propan-1-ol
CID 64666706
3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 107129475
2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol
CID 116931016
3-(6-bromo-3-pyridinyl)-2-methylpropan-1-ol
CID 87844869
(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol
CID 15830826
2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol
CID 116945596

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol (CID 169444062) is 2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol is CC(CO)Cc1ccc(C(C)C(C)C)cc1.
What is the InChIKey of 2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol?
The InChIKey is ZLPVIHWEQCWRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)13(4)15-7-5-14(6-8-15)9-12(3)10-16/h5-8,11-13,16H,9-10H2,1-4H3.
What are the key properties of 2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol?
2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 169444062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).