3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol

C18H24O — CID 67484963

IUPAC3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol
SMILESCCCCC1(C)C=C(O)C=C(C)C1c1ccccc1
InChIInChI=1S/C18H24O/c1-4-5-11-18(3)13-16(19)12-14(2)17(18)15-9-7-6-8-10-15/h6-10,12-13,17,19H,4-5,11H2,1-3H3
InChIKeyJOGXWRHARXSRTD-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.37
Rot. Bonds4

About 3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol

3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol (PubChem CID 67484963) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol
PubChem CID67484963
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol
SMILESCCCCC1(C)C=C(O)C=C(C)C1c1ccccc1
InChIInChI=1S/C18H24O/c1-4-5-11-18(3)13-16(19)12-14(2)17(18)15-9-7-6-8-10-15/h6-10,12-13,17,19H,4-5,11H2,1-3H3
InChIKeyJOGXWRHARXSRTD-UHFFFAOYSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol (CID 67484963) is 3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol is CCCCC1(C)C=C(O)C=C(C)C1c1ccccc1.
What is the InChIKey of 3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol?
The InChIKey is JOGXWRHARXSRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-4-5-11-18(3)13-16(19)12-14(2)17(18)15-9-7-6-8-10-15/h6-10,12-13,17,19H,4-5,11H2,1-3H3.
What are the key properties of 3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol?
3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol has a molecular weight of 256.39 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 67484963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).