3-(4-ethylphenyl)-3-methylbutan-1-ol

C13H20O — CID 79837245

IUPAC3-(4-ethylphenyl)-3-methylbutan-1-ol
SMILESCCc1ccc(C(C)(C)CCO)cc1
InChIInChI=1S/C13H20O/c1-4-11-5-7-12(8-6-11)13(2,3)9-10-14/h5-8,14H,4,9-10H2,1-3H3
InChIKeyKRAHVTCRFHLOLX-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.91
Rot. Bonds4

About 3-(4-ethylphenyl)-3-methylbutan-1-ol

3-(4-ethylphenyl)-3-methylbutan-1-ol (PubChem CID 79837245) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(4-ethylphenyl)-3-methylbutan-1-ol
PubChem CID79837245
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-(4-ethylphenyl)-3-methylbutan-1-ol
SMILESCCc1ccc(C(C)(C)CCO)cc1
InChIInChI=1S/C13H20O/c1-4-11-5-7-12(8-6-11)13(2,3)9-10-14/h5-8,14H,4,9-10H2,1-3H3
InChIKeyKRAHVTCRFHLOLX-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-(4-ethylphenyl)butan-1-ol
CID 65239511
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
1-tert-butyl-4-ethylbenzene
CID 157359507
2-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820
4-[2-(4-ethylphenyl)-2-methylpropyl]phenol
CID 67225480
1-ethyl-4-(3-methylpentan-3-yl)benzene
CID 154560765
2-(4-ethylphenyl)-2,2-difluoroethanol
CID 105425911
1-ethyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 22506294
1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea
CID 111861314
3-(4-ethylphenyl)pentan-3-ol
CID 62543234
2-(4-ethylphenyl)-4-methoxybutan-2-ol
CID 62543730
1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159025923

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 3-(4-ethylphenyl)-3-methylbutan-1-ol (CID 79837245) is 3-(4-ethylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(4-ethylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 3-(4-ethylphenyl)-3-methylbutan-1-ol is CCc1ccc(C(C)(C)CCO)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-3-methylbutan-1-ol?
The InChIKey is KRAHVTCRFHLOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-11-5-7-12(8-6-11)13(2,3)9-10-14/h5-8,14H,4,9-10H2,1-3H3.
What are the key properties of 3-(4-ethylphenyl)-3-methylbutan-1-ol?
3-(4-ethylphenyl)-3-methylbutan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 79837245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).