1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol

C16H22O — CID 21427339

IUPAC1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol
SMILESCC(C)=C=CC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22O/c1-12(2)6-11-15(17)13-7-9-14(10-8-13)16(3,4)5/h7-11,15,17H,1-5H3
InChIKeyIKIQMRMKKUMZIZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.14
Rot. Bonds2

About 1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol

1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol (PubChem CID 21427339) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol
PubChem CID21427339
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol
SMILESCC(C)=C=CC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22O/c1-12(2)6-11-15(17)13-7-9-14(10-8-13)16(3,4)5/h7-11,15,17H,1-5H3
InChIKeyIKIQMRMKKUMZIZ-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol (CID 21427339) is 1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol is CC(C)=C=CC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol?
The InChIKey is IKIQMRMKKUMZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12(2)6-11-15(17)13-7-9-14(10-8-13)16(3,4)5/h7-11,15,17H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol?
1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol has a molecular weight of 230.35 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol is sourced from PubChem (CID 21427339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).