2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol

C19H26O — CID 88689357

IUPAC2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol
SMILESCCCCC1C(C)=CC(C)=CC1(C)c1ccccc1O
InChIInChI=1S/C19H26O/c1-5-6-9-16-15(3)12-14(2)13-19(16,4)17-10-7-8-11-18(17)20/h7-8,10-13,16,20H,5-6,9H2,1-4H3
InChIKeyAIJZMWDSCRUIHR-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.36
Rot. Bonds4

About 2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol

2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol (PubChem CID 88689357) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol.

Molecular Properties

Compound Name2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol
PubChem CID88689357
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol
SMILESCCCCC1C(C)=CC(C)=CC1(C)c1ccccc1O
InChIInChI=1S/C19H26O/c1-5-6-9-16-15(3)12-14(2)13-19(16,4)17-10-7-8-11-18(17)20/h7-8,10-13,16,20H,5-6,9H2,1-4H3
InChIKeyAIJZMWDSCRUIHR-UHFFFAOYSA-N
XLogP5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-3,5-dimethyl-4-phenylcyclohexa-1,5-dien-1-ol
CID 67484963
(1R,2S,3'S)-3'-butyl-1-methylspiro[naphthalene-2,2'-oxirane]-1-ol
CID 10332077
1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene
CID 173216287
6-butyl-1,5,5-trimethylcyclohexene
CID 15402298
5-(2-tert-butylphenyl)-6-iodo-1,3,5-trimethylcyclohexa-1,3-diene;trifluoromethanesulfonic acid
CID 175707907
6-butyl-1,3,3-trimethylcyclohexene
CID 176917622
2-(3,3-difluoro-2-methyloxiran-2-yl)phenol
CID 130034849
2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol
CID 87513439
diethyl 3-methylidene-2-octyl-2H-indene-1,1-dicarboxylate
CID 10407837
1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene
CID 22420537
2-butylselanyl-1,1,3,3-tetramethyl-2H-indene
CID 13212210
2,2,3,3-tetramethyl-1-propyl-1H-indene
CID 54246995

Frequently Asked Questions

What is the IUPAC name of 2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol?
The IUPAC name of 2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol (CID 88689357) is 2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol.
What is the SMILES notation for 2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol?
The canonical SMILES for 2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol is CCCCC1C(C)=CC(C)=CC1(C)c1ccccc1O.
What is the InChIKey of 2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol?
The InChIKey is AIJZMWDSCRUIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-5-6-9-16-15(3)12-14(2)13-19(16,4)17-10-7-8-11-18(17)20/h7-8,10-13,16,20H,5-6,9H2,1-4H3.
What are the key properties of 2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol?
2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol has a molecular weight of 270.42 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol is sourced from PubChem (CID 88689357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).