3-(2-methoxy-5-methylphenyl)pentan-3-ol

C13H20O2 — CID 62796425

IUPAC3-(2-methoxy-5-methylphenyl)pentan-3-ol
SMILESCCC(O)(CC)c1cc(C)ccc1OC
InChIInChI=1S/C13H20O2/c1-5-13(14,6-2)11-9-10(3)7-8-12(11)15-4/h7-9,14H,5-6H2,1-4H3
InChIKeyRXQJGVUOPGSWRR-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.01
Rot. Bonds4

About 3-(2-methoxy-5-methylphenyl)pentan-3-ol

3-(2-methoxy-5-methylphenyl)pentan-3-ol (PubChem CID 62796425) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)pentan-3-ol
PubChem CID62796425
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-(2-methoxy-5-methylphenyl)pentan-3-ol
SMILESCCC(O)(CC)c1cc(C)ccc1OC
InChIInChI=1S/C13H20O2/c1-5-13(14,6-2)11-9-10(3)7-8-12(11)15-4/h7-9,14H,5-6H2,1-4H3
InChIKeyRXQJGVUOPGSWRR-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol
CID 131862050
2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile
CID 55026470
chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 89214237
ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
CID 5022792
4-(2-methoxy-5-methylphenyl)heptan-4-amine
CID 54886794
ethyl 3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoate
CID 55071451
N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine
CID 62594384
2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol
CID 165345524
2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol
CID 82769735
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid
CID 112501672

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)pentan-3-ol?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)pentan-3-ol (CID 62796425) is 3-(2-methoxy-5-methylphenyl)pentan-3-ol.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)pentan-3-ol?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)pentan-3-ol is CCC(O)(CC)c1cc(C)ccc1OC.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)pentan-3-ol?
The InChIKey is RXQJGVUOPGSWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-13(14,6-2)11-9-10(3)7-8-12(11)15-4/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)pentan-3-ol?
3-(2-methoxy-5-methylphenyl)pentan-3-ol has a molecular weight of 208.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)pentan-3-ol is sourced from PubChem (CID 62796425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).