1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol

C17H20O3 — CID 174578286

IUPAC1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol
SMILESOC1(OC2CCCCO2)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C17H20O3/c18-17(20-16-8-4-5-13-19-16)11-9-15(10-12-17)14-6-2-1-3-7-14/h1-3,6-7,9-11,16,18H,4-5,8,12-13H2
InChIKeyAXJADQJEHGSZGA-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.26
Rot. Bonds3

About 1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol

1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 174578286) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol
PubChem CID174578286
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol
SMILESOC1(OC2CCCCO2)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C17H20O3/c18-17(20-16-8-4-5-13-19-16)11-9-15(10-12-17)14-6-2-1-3-7-14/h1-3,6-7,9-11,16,18H,4-5,8,12-13H2
InChIKeyAXJADQJEHGSZGA-UHFFFAOYSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
CID 170991611
3-[4,4-bis(oxan-2-yloxy)cyclohexa-1,5-dien-1-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 67788779
5-(5-cyclopentylpentoxy)-2-phenyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 174430197
palladium;4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 174927454
5-bromo-5-tert-butyl-2-phenylcyclohexa-1,3-diene
CID 170991905
5-fluoro-5-methoxy-2-phenylcyclohexa-1,3-diene
CID 174457167
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
CID 117061304
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
2-(2,4-dimethyl-6-phenylphenoxy)oxane
CID 159035357
1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine
CID 174711228

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol (CID 174578286) is 1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol is OC1(OC2CCCCO2)C=CC(c2ccccc2)=CC1.
What is the InChIKey of 1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is AXJADQJEHGSZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c18-17(20-16-8-4-5-13-19-16)11-9-15(10-12-17)14-6-2-1-3-7-14/h1-3,6-7,9-11,16,18H,4-5,8,12-13H2.
What are the key properties of 1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol?
1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 272.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yloxy)-4-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174578286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).