1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol

C24H28O2 — CID 67942873

IUPAC1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol
SMILESCCCCCCOC1(O)C=CC=C(c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C24H28O2/c1-2-3-4-10-18-26-24(25)17-11-14-21(19-24)23-16-9-8-15-22(23)20-12-6-5-7-13-20/h5-9,11-17,25H,2-4,10,18-19H2,1H3
InChIKeyXEWZTORFAKOGFZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.98
Rot. Bonds8

About 1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol

1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol (PubChem CID 67942873) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol
PubChem CID67942873
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol
SMILESCCCCCCOC1(O)C=CC=C(c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C24H28O2/c1-2-3-4-10-18-26-24(25)17-11-14-21(19-24)23-16-9-8-15-22(23)20-12-6-5-7-13-20/h5-9,11-17,25H,2-4,10,18-19H2,1H3
InChIKeyXEWZTORFAKOGFZ-UHFFFAOYSA-N
XLogP5.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-octadecoxy-2-phenylbenzene
CID 70983974
1,1'-biphenyl;hexadecane
CID 173308514
1-octoxy-4-phenyldiazenylcyclohexa-2,4-dien-1-ol
CID 70173104
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
2,3-difluoro-1-(4-heptoxy-4-octoxycyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)benzene
CID 67861739
2-hydroxy-2-pentoxyindene-1,3-dione
CID 71345396
(2,6-diphenylphenyl) hexyl carbonate
CID 121296956
hexyl (2-phenylphenyl) carbonate
CID 67180373
phenyl-(4,6,6-trihydroxy-4-octoxycyclohex-2-en-1-yl)methanone
CID 23069385
1-phenyl-2-[4-(1-undecoxyethyl)phenyl]benzene
CID 139693626
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-heptoxy-2,3-diphenylbenzene
CID 91223664

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol (CID 67942873) is 1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol is CCCCCCOC1(O)C=CC=C(c2ccccc2-c2ccccc2)C1.
What is the InChIKey of 1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is XEWZTORFAKOGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-2-3-4-10-18-26-24(25)17-11-14-21(19-24)23-16-9-8-15-22(23)20-12-6-5-7-13-20/h5-9,11-17,25H,2-4,10,18-19H2,1H3.
What are the key properties of 1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol?
1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 348.49 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-5-(2-phenylphenyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67942873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).