4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol

C18H22O2 — CID 69326031

IUPAC4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol
SMILESOC1CC=C(C2=C(c3ccccc3)CC(O)CC2)CC1
InChIInChI=1S/C18H22O2/c19-15-8-6-14(7-9-15)17-11-10-16(20)12-18(17)13-4-2-1-3-5-13/h1-6,15-16,19-20H,7-12H2
InChIKeyHFHKPEBSZPQLAS-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.46
Rot. Bonds2

About 4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol

4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol (PubChem CID 69326031) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol
PubChem CID69326031
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol
SMILESOC1CC=C(C2=C(c3ccccc3)CC(O)CC2)CC1
InChIInChI=1S/C18H22O2/c19-15-8-6-14(7-9-15)17-11-10-16(20)12-18(17)13-4-2-1-3-5-13/h1-6,15-16,19-20H,7-12H2
InChIKeyHFHKPEBSZPQLAS-UHFFFAOYSA-N
XLogP3.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol?
The IUPAC name of 4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol (CID 69326031) is 4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol.
What is the SMILES notation for 4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol?
The canonical SMILES for 4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol is OC1CC=C(C2=C(c3ccccc3)CC(O)CC2)CC1.
What is the InChIKey of 4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol?
The InChIKey is HFHKPEBSZPQLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-15-8-6-14(7-9-15)17-11-10-16(20)12-18(17)13-4-2-1-3-5-13/h1-6,15-16,19-20H,7-12H2.
What are the key properties of 4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol?
4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol has a molecular weight of 270.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxycyclohexen-1-yl)-3-phenylcyclohex-3-en-1-ol is sourced from PubChem (CID 69326031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).