cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol

C16H18O2 — CID 114723714

IUPACcyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)C3CC=CCC3)oc12
InChIInChI=1S/C16H18O2/c1-11-6-5-9-13-10-14(18-16(11)13)15(17)12-7-3-2-4-8-12/h2-3,5-6,9-10,12,15,17H,4,7-8H2,1H3
InChIKeyAUSGDSIWNFDSKQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.13
Rot. Bonds2

About cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol

cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114723714) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol
PubChem CID114723714
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Namecyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)C3CC=CCC3)oc12
InChIInChI=1S/C16H18O2/c1-11-6-5-9-13-10-14(18-16(11)13)15(17)12-7-3-2-4-8-12/h2-3,5-6,9-10,12,15,17H,4,7-8H2,1H3
InChIKeyAUSGDSIWNFDSKQ-UHFFFAOYSA-N
XLogP4.13
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114726715
(7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol
CID 114724344
(7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 114726549
cyclohex-3-en-1-yl-(3,4-dimethylphenyl)methanol
CID 63900775
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
cyclohex-3-en-1-yl(naphthalen-1-yl)methanol
CID 63900357
cyclohex-3-en-1-yl-(2,5-dimethylphenyl)methanol
CID 63902412
(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 114726690
(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114724253
(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233
(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol (CID 114723714) is cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol is Cc1cccc2cc(C(O)C3CC=CCC3)oc12.
What is the InChIKey of cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is AUSGDSIWNFDSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11-6-5-9-13-10-14(18-16(11)13)15(17)12-7-3-2-4-8-12/h2-3,5-6,9-10,12,15,17H,4,7-8H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol?
cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 242.32 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114723714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).