1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol

C14H22O — CID 61088685

IUPAC1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
SMILESCCc1ccc(C(O)CC(C)(C)C)cc1
InChIInChI=1S/C14H22O/c1-5-11-6-8-12(9-7-11)13(15)10-14(2,3)4/h6-9,13,15H,5,10H2,1-4H3
InChIKeyZJPQFWGYRLAWSK-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.72
Rot. Bonds3

About 1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol

1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol (PubChem CID 61088685) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
PubChem CID61088685
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
SMILESCCc1ccc(C(O)CC(C)(C)C)cc1
InChIInChI=1S/C14H22O/c1-5-11-6-8-12(9-7-11)13(15)10-14(2,3)4/h6-9,13,15H,5,10H2,1-4H3
InChIKeyZJPQFWGYRLAWSK-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297591
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
3-amino-1-(4-ethylphenyl)propan-1-ol
CID 55269424
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515423
1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol
CID 65132157
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
1-[4-(4,4-dimethylpentan-2-yl)phenoxy]-3-(4-ethylphenoxy)propan-2-ol
CID 164877972
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585
1,3-bis(4-chlorophenyl)propane-1,3-diol;bis(4-ethylbenzoic acid)
CID 66728211
1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene
CID 59048816

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol (CID 61088685) is 1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol is CCc1ccc(C(O)CC(C)(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol?
The InChIKey is ZJPQFWGYRLAWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-11-6-8-12(9-7-11)13(15)10-14(2,3)4/h6-9,13,15H,5,10H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol?
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 61088685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).