1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol

C14H14O2 — CID 175013604

IUPAC1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol
SMILESC=COC1(O)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C14H14O2/c1-2-16-14(15)10-8-13(9-11-14)12-6-4-3-5-7-12/h2-10,15H,1,11H2
InChIKeyHCOQUJYPUOYEBQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.88
Rot. Bonds3

About 1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol

1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 175013604) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol
PubChem CID175013604
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol
SMILESC=COC1(O)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C14H14O2/c1-2-16-14(15)10-8-13(9-11-14)12-6-4-3-5-7-12/h2-10,15H,1,11H2
InChIKeyHCOQUJYPUOYEBQ-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 174438236
CID 172735714
CID 172735714
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
CID 170991611
[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol
CID 68743501
1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol
CID 174578286
5-fluoro-5-methoxy-2-phenylcyclohexa-1,3-diene
CID 174457167
1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol
CID 175034497
palladium;4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 174927454
1-amino-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 56924481
1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 142770895
prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate
CID 70364364

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol (CID 175013604) is 1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol is C=COC1(O)C=CC(c2ccccc2)=CC1.
What is the InChIKey of 1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is HCOQUJYPUOYEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-16-14(15)10-8-13(9-11-14)12-6-4-3-5-7-12/h2-10,15H,1,11H2.
What are the key properties of 1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol?
1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 214.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175013604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).