(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol

C13H18O2 — CID 103277555

IUPAC(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol
SMILESCC1=CC(C)CC(C(O)c2ccoc2)C1
InChIInChI=1S/C13H18O2/c1-9-5-10(2)7-12(6-9)13(14)11-3-4-15-8-11/h3-5,8-9,12-14H,6-7H2,1-2H3
InChIKeyXIYHNDRHLCFFMX-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.31
Rot. Bonds2

About (3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol

(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol (PubChem CID 103277555) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol
PubChem CID103277555
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol
SMILESCC1=CC(C)CC(C(O)c2ccoc2)C1
InChIInChI=1S/C13H18O2/c1-9-5-10(2)7-12(6-9)13(14)11-3-4-15-8-11/h3-5,8-9,12-14H,6-7H2,1-2H3
InChIKeyXIYHNDRHLCFFMX-UHFFFAOYSA-N
XLogP3.31
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

(3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 107559711
(3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 103277476
1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
CID 103277645
(3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol
CID 103277579
(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103277657
(4-ethylcyclohexyl)-(furan-3-yl)methanol
CID 64749944
furan-3-yl(oxolan-3-yl)methanol
CID 63894971
(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 103277687
3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol
CID 103277877
furan-3-yl-(2-methylcyclopropyl)methanamine
CID 65420832
(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782312
(3,5-dimethylcyclohex-3-en-1-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 103277409

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol?
The IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol (CID 103277555) is (3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol.
What is the SMILES notation for (3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol?
The canonical SMILES for (3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol is CC1=CC(C)CC(C(O)c2ccoc2)C1.
What is the InChIKey of (3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol?
The InChIKey is XIYHNDRHLCFFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-5-10(2)7-12(6-9)13(14)11-3-4-15-8-11/h3-5,8-9,12-14H,6-7H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol?
(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol has a molecular weight of 206.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol is sourced from PubChem (CID 103277555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).