[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol

C14H16O2 — CID 68743501

IUPAC[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1(CO)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C14H16O2/c15-10-14(11-16)8-6-13(7-9-14)12-4-2-1-3-5-12/h1-8,15-16H,9-11H2
InChIKeyHUGSFVOUFKFSCM-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.00
Rot. Bonds3

About [1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol

[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol (PubChem CID 68743501) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is [1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol
PubChem CID68743501
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1(CO)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C14H16O2/c15-10-14(11-16)8-6-13(7-9-14)12-4-2-1-3-5-12/h1-8,15-16H,9-11H2
InChIKeyHUGSFVOUFKFSCM-UHFFFAOYSA-N
XLogP2.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
CID 170991611
CID 172735714
CID 172735714
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
palladium;4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 174927454
1-amino-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 56924481
2-(1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 170991718
1-amino-4-phenylcyclohexa-2,4-diene-1-sulfonic acid
CID 87891223
1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 174438236
5-(3,3-difluoroprop-2-enyl)-5-nonyl-2-phenylcyclohexa-1,3-diene
CID 70397962
3-ethyl-3-[[1-[(3-ethyloxetan-3-yl)methoxymethyl]-4-phenylcyclohexa-2,4-dien-1-yl]methoxymethyl]oxetane
CID 126507030
1-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 174391576
1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol
CID 175013604

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol (CID 68743501) is [1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol is OCC1(CO)C=CC(c2ccccc2)=CC1.
What is the InChIKey of [1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is HUGSFVOUFKFSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-10-14(11-16)8-6-13(7-9-14)12-4-2-1-3-5-12/h1-8,15-16H,9-11H2.
What are the key properties of [1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol?
[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 216.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 68743501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).