2-(4-ethylphenyl)-4-methoxybutan-2-ol

C13H20O2 — CID 62543730

IUPAC2-(4-ethylphenyl)-4-methoxybutan-2-ol
SMILESCCc1ccc(C(C)(O)CCOC)cc1
InChIInChI=1S/C13H20O2/c1-4-11-5-7-12(8-6-11)13(2,14)9-10-15-3/h5-8,14H,4,9-10H2,1-3H3
InChIKeyINUPNWONIRUUMP-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.49
Rot. Bonds5

About 2-(4-ethylphenyl)-4-methoxybutan-2-ol

2-(4-ethylphenyl)-4-methoxybutan-2-ol (PubChem CID 62543730) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-methoxybutan-2-ol.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-methoxybutan-2-ol
PubChem CID62543730
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(4-ethylphenyl)-4-methoxybutan-2-ol
SMILESCCc1ccc(C(C)(O)CCOC)cc1
InChIInChI=1S/C13H20O2/c1-4-11-5-7-12(8-6-11)13(2,14)9-10-15-3/h5-8,14H,4,9-10H2,1-3H3
InChIKeyINUPNWONIRUUMP-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55070744
1-tert-butyl-4-ethylbenzene
CID 157359507
1-(4-ethylphenyl)-3-methoxy-2-methylpropan-2-ol
CID 62535452
4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 55131912
1-ethyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 22506294
3-(4-ethylphenyl)pentan-3-ol
CID 62543234
3-(4-ethylphenyl)-3-methylbutan-1-ol
CID 79837245
2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine
CID 115624979
1-tert-butyl-4-(2-methoxyethyl)benzene
CID 67201808
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol
CID 114851831
2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
CID 62802549

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-methoxybutan-2-ol?
The IUPAC name of 2-(4-ethylphenyl)-4-methoxybutan-2-ol (CID 62543730) is 2-(4-ethylphenyl)-4-methoxybutan-2-ol.
What is the SMILES notation for 2-(4-ethylphenyl)-4-methoxybutan-2-ol?
The canonical SMILES for 2-(4-ethylphenyl)-4-methoxybutan-2-ol is CCc1ccc(C(C)(O)CCOC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-methoxybutan-2-ol?
The InChIKey is INUPNWONIRUUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-11-5-7-12(8-6-11)13(2,14)9-10-15-3/h5-8,14H,4,9-10H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-4-methoxybutan-2-ol?
2-(4-ethylphenyl)-4-methoxybutan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-methoxybutan-2-ol is sourced from PubChem (CID 62543730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).