2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol

C13H20O2 — CID 117297903

IUPAC2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
SMILESCc1cc(C(C)CO)ccc1OC(C)C
InChIInChI=1S/C13H20O2/c1-9(2)15-13-6-5-12(7-10(13)3)11(4)8-14/h5-7,9,11,14H,8H2,1-4H3
InChIKeyJXIBJCGZDLGRSF-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.88
Rot. Bonds4

About 2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol

2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol (PubChem CID 117297903) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
PubChem CID117297903
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
SMILESCc1cc(C(C)CO)ccc1OC(C)C
InChIInChI=1S/C13H20O2/c1-9(2)15-13-6-5-12(7-10(13)3)11(4)8-14/h5-7,9,11,14H,8H2,1-4H3
InChIKeyJXIBJCGZDLGRSF-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene
CID 134400936
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 82492417
2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol
CID 164892670
2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid
CID 112514675
3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
CID 112516192
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
3-(methylamino)-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112518832
2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82476689
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol
CID 117286493

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol?
The IUPAC name of 2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol (CID 117297903) is 2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol?
The canonical SMILES for 2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol is Cc1cc(C(C)CO)ccc1OC(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol?
The InChIKey is JXIBJCGZDLGRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)15-13-6-5-12(7-10(13)3)11(4)8-14/h5-7,9,11,14H,8H2,1-4H3.
What are the key properties of 2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol?
2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol is sourced from PubChem (CID 117297903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).