1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde

C14H14O2 — CID 174545418

IUPAC1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1(CO)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C14H14O2/c15-10-14(11-16)8-4-7-13(9-14)12-5-2-1-3-6-12/h1-8,10,16H,9,11H2
InChIKeyZRJVILRKAJGQMS-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.21
Rot. Bonds3

About 1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde

1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 174545418) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde
PubChem CID174545418
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1(CO)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C14H14O2/c15-10-14(11-16)8-4-7-13(9-14)12-5-2-1-3-6-12/h1-8,10,16H,9,11H2
InChIKeyZRJVILRKAJGQMS-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde
CID 130276656
5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene
CID 175079715
1-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699977
1-ethyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699547
5,5-difluoro-1-phenylcyclohexa-1,3-diene
CID 21252411
bis(prop-2-enyl) 5-phenylcyclohexa-2,4-diene-1,1-dicarboxylate
CID 70131463
tert-butyl N-(1-formyl-5-phenylcyclohexa-2,4-dien-1-yl)carbamate
CID 175485910
dimethyl 5-phenylcyclohexa-2,4-diene-1,1-dicarboxylate
CID 175230851
1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol
CID 172714149
5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene
CID 150430637
1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide
CID 87529543
2-(hydroxymethyl)-1,3-dihydroindene-2-carbaldehyde
CID 126997325

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde (CID 174545418) is 1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde is O=CC1(CO)C=CC=C(c2ccccc2)C1.
What is the InChIKey of 1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is ZRJVILRKAJGQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-10-14(11-16)8-4-7-13(9-14)12-5-2-1-3-6-12/h1-8,10,16H,9,11H2.
What are the key properties of 1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde?
1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 214.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 174545418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).