(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol

C18H18O2 — CID 91116879

IUPAC(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol
SMILESO[C@]1(c2ccccc2)C=C[C@@](O)(c2ccccc2)CC1
InChIInChI=1S/C18H18O2/c19-17(15-7-3-1-4-8-15)11-13-18(20,14-12-17)16-9-5-2-6-10-16/h1-11,13,19-20H,12,14H2/t17-,18+
InChIKeyNYEWVXXLIURTEU-HDICACEKSA-N
MW266.34 g/mol
LogP3.11
Rot. Bonds2

About (1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol

(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol (PubChem CID 91116879) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol.

Molecular Properties

Compound Name(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol
PubChem CID91116879
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol
SMILESO[C@]1(c2ccccc2)C=C[C@@](O)(c2ccccc2)CC1
InChIInChI=1S/C18H18O2/c19-17(15-7-3-1-4-8-15)11-13-18(20,14-12-17)16-9-5-2-6-10-16/h1-11,13,19-20H,12,14H2/t17-,18+
InChIKeyNYEWVXXLIURTEU-HDICACEKSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylcyclobut-2-en-1-ol
CID 174635537
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
4-phenylcyclohexa-1,5-diene-1,4-diol
CID 22065259
azane;1-phenylcyclobutan-1-ol
CID 175547532
1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene
CID 58051202
5-chloro-1-phenylcyclohexa-2,4-dien-1-ol
CID 151690344
7,13-dioxatetracyclo[17.2.2.12,6.114,18]pentacosa-2(25),3,5,14,16,18(24),20-heptaene-1,19-diol
CID 132500777
trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol
CID 101349551
copper;1-phenylcyclohexan-1-ol
CID 174727157
cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol
CID 10967455
ethane;4-hydroxy-4-phenylcyclohexan-1-one
CID 91155635
N-deuterio-1-phenylcyclopropane-1-carboxamide
CID 175986247

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol?
The IUPAC name of (1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol (CID 91116879) is (1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol.
What is the SMILES notation for (1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol?
The canonical SMILES for (1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol is O[C@]1(c2ccccc2)C=C[C@@](O)(c2ccccc2)CC1.
What is the InChIKey of (1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol?
The InChIKey is NYEWVXXLIURTEU-HDICACEKSA-N. The full InChI is InChI=1S/C18H18O2/c19-17(15-7-3-1-4-8-15)11-13-18(20,14-12-17)16-9-5-2-6-10-16/h1-11,13,19-20H,12,14H2/t17-,18+.
What are the key properties of (1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol?
(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol has a molecular weight of 266.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol is sourced from PubChem (CID 91116879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).