(1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol

C15H22O3 — CID 162845070

IUPAC(1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol
SMILESCC(C)[C@@H]1CC[C@](O)(CO)C=C1Cc1ccoc1
InChIInChI=1S/C15H22O3/c1-11(2)14-3-5-15(17,10-16)8-13(14)7-12-4-6-18-9-12/h4,6,8-9,11,14,16-17H,3,5,7,10H2,1-2H3/t14-,15+/m0/s1
InChIKeyNDXPWPOEIUMIOS-LSDHHAIUSA-N
MW250.34 g/mol
LogP2.54
Rot. Bonds4

About (1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol

(1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 162845070) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol
PubChem CID162845070
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol
SMILESCC(C)[C@@H]1CC[C@](O)(CO)C=C1Cc1ccoc1
InChIInChI=1S/C15H22O3/c1-11(2)14-3-5-15(17,10-16)8-13(14)7-12-4-6-18-9-12/h4,6,8-9,11,14,16-17H,3,5,7,10H2,1-2H3/t14-,15+/m0/s1
InChIKeyNDXPWPOEIUMIOS-LSDHHAIUSA-N
XLogP2.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol (CID 162845070) is (1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol is CC(C)[C@@H]1CC[C@](O)(CO)C=C1Cc1ccoc1.
What is the InChIKey of (1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is NDXPWPOEIUMIOS-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(2)14-3-5-15(17,10-16)8-13(14)7-12-4-6-18-9-12/h4,6,8-9,11,14,16-17H,3,5,7,10H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol?
(1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 162845070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).