3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol

C15H24O2 — CID 79423809

IUPAC3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol
SMILESCOc1ccc(CCC(C(C)C)C(C)O)cc1
InChIInChI=1S/C15H24O2/c1-11(2)15(12(3)16)10-7-13-5-8-14(17-4)9-6-13/h5-6,8-9,11-12,15-16H,7,10H2,1-4H3
InChIKeyXQLJLWCPRHJHAI-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.28
Rot. Bonds6

About 3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol

3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol (PubChem CID 79423809) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol
PubChem CID79423809
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol
SMILESCOc1ccc(CCC(C(C)C)C(C)O)cc1
InChIInChI=1S/C15H24O2/c1-11(2)15(12(3)16)10-7-13-5-8-14(17-4)9-6-13/h5-6,8-9,11-12,15-16H,7,10H2,1-4H3
InChIKeyXQLJLWCPRHJHAI-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
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1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
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1-(4-methoxyphenyl)hex-5-en-3-ol
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1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol
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ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
CID 66289830

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol (CID 79423809) is 3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol is COc1ccc(CCC(C(C)C)C(C)O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol?
The InChIKey is XQLJLWCPRHJHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)15(12(3)16)10-7-13-5-8-14(17-4)9-6-13/h5-6,8-9,11-12,15-16H,7,10H2,1-4H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol?
3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol is sourced from PubChem (CID 79423809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).