4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol

C14H16O2 — CID 19805748

IUPAC4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol
SMILESOC1=CCC(O)(CCc2ccccc2)C=C1
InChIInChI=1S/C14H16O2/c15-13-7-10-14(16,11-8-13)9-6-12-4-2-1-3-5-12/h1-5,7-8,10,15-16H,6,9,11H2
InChIKeyMYSJYUUKFIVTQZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.75
Rot. Bonds3

About 4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol

4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol (PubChem CID 19805748) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol
PubChem CID19805748
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol
SMILESOC1=CCC(O)(CCc2ccccc2)C=C1
InChIInChI=1S/C14H16O2/c15-13-7-10-14(16,11-8-13)9-6-12-4-2-1-3-5-12/h1-5,7-8,10,15-16H,6,9,11H2
InChIKeyMYSJYUUKFIVTQZ-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenylcyclohexa-1,5-diene-1,4-diol
CID 22065259
1-(2-phenylethyl)cyclopent-3-en-1-ol
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4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol
CID 69278382
[4-chloro-4-(2-phenylethyl)cyclohexa-1,5-dien-1-yl]-phenylmethanone
CID 174486763
3-(2-phenylethyl)oxetan-3-ol
CID 83683318
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
(5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one
CID 129363713
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
benzene;2-phenylethylbenzene
CID 18982764
1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
2-methyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 79332321
3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one
CID 101434556

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol (CID 19805748) is 4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol is OC1=CCC(O)(CCc2ccccc2)C=C1.
What is the InChIKey of 4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol?
The InChIKey is MYSJYUUKFIVTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-13-7-10-14(16,11-8-13)9-6-12-4-2-1-3-5-12/h1-5,7-8,10,15-16H,6,9,11H2.
What are the key properties of 4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol?
4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol has a molecular weight of 216.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 19805748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).