5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol

C14H16O — CID 170991368

IUPAC5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol
SMILESCC1(C)C=CC(c2ccccc2)=C(O)C1
InChIInChI=1S/C14H16O/c1-14(2)9-8-12(13(15)10-14)11-6-4-3-5-7-11/h3-9,15H,10H2,1-2H3
InChIKeyCYJRPMQTFFEEAJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.94
Rot. Bonds1

About 5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol

5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol (PubChem CID 170991368) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol
PubChem CID170991368
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol
SMILESCC1(C)C=CC(c2ccccc2)=C(O)C1
InChIInChI=1S/C14H16O/c1-14(2)9-8-12(13(15)10-14)11-6-4-3-5-7-11/h3-9,15H,10H2,1-2H3
InChIKeyCYJRPMQTFFEEAJ-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-phenylcyclohexa-3,5-diene-1,3-diol;methane
CID 146598135
5-chloro-1-methyl-4-phenylcyclohexa-2,4-dien-1-amine
CID 67918445
5-methyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 150376189
2,4,4-trimethylcyclohexa-1,5-diene-1-carboxylic acid
CID 151392692
dimethyl 5-iodo-4-phenylcyclohexa-2,4-diene-1,1-dicarboxylate
CID 175132782
benzene;1,1'-biphenyl;ethane
CID 158550617
bis(1,1'-biphenyl);chromium(3+);triiodide
CID 163778022
benzene;tris(1,1'-biphenyl)
CID 162155747
CID 100919801
CID 100919801
2-(benzenesulfonyl)-4,4-dimethylcyclohexa-1,5-diene-1-sulfonic acid
CID 175463401
1-(2-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone
CID 163616462
benzene;1,1'-biphenyl;phenol
CID 159528072

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol (CID 170991368) is 5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol is CC1(C)C=CC(c2ccccc2)=C(O)C1.
What is the InChIKey of 5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol?
The InChIKey is CYJRPMQTFFEEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-14(2)9-8-12(13(15)10-14)11-6-4-3-5-7-11/h3-9,15H,10H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol?
5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol has a molecular weight of 200.28 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 170991368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).