(3-heptylfuran-2-yl)methanol

C12H20O2 — CID 14791772

IUPAC(3-heptylfuran-2-yl)methanol
SMILESCCCCCCCc1ccoc1CO
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-11-8-9-14-12(11)10-13/h8-9,13H,2-7,10H2,1H3
InChIKeySJKCTVKDROTFFM-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.28
Rot. Bonds7

About (3-heptylfuran-2-yl)methanol

(3-heptylfuran-2-yl)methanol (PubChem CID 14791772) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (3-heptylfuran-2-yl)methanol.

Molecular Properties

Compound Name(3-heptylfuran-2-yl)methanol
PubChem CID14791772
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(3-heptylfuran-2-yl)methanol
SMILESCCCCCCCc1ccoc1CO
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-11-8-9-14-12(11)10-13/h8-9,13H,2-7,10H2,1H3
InChIKeySJKCTVKDROTFFM-UHFFFAOYSA-N
XLogP3.28
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-nonylfuran-2-yl)acetate
CID 11482904
ethyl 2-(3-hexylfuran-2-yl)acetate
CID 11149114
(3-heptylfuran-2-yl)phosphane
CID 21095511
3-heptylfuran-2-amine
CID 90951825
2-methyl-3-pentylfuran
CID 12555082
(3-pentylfuran-2-yl)phosphane
CID 21095698
3-dodecylfuran-2-carbaldehyde
CID 54442257
(2-octylphenyl)methanol
CID 19826681
4-hexyl-1-benzofuran
CID 90920870
1-dodecyl-2-hexylbenzene
CID 19371073
1,2-di(undecyl)benzene
CID 3019479
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of (3-heptylfuran-2-yl)methanol?
The IUPAC name of (3-heptylfuran-2-yl)methanol (CID 14791772) is (3-heptylfuran-2-yl)methanol.
What is the SMILES notation for (3-heptylfuran-2-yl)methanol?
The canonical SMILES for (3-heptylfuran-2-yl)methanol is CCCCCCCc1ccoc1CO.
What is the InChIKey of (3-heptylfuran-2-yl)methanol?
The InChIKey is SJKCTVKDROTFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-5-6-7-11-8-9-14-12(11)10-13/h8-9,13H,2-7,10H2,1H3.
What are the key properties of (3-heptylfuran-2-yl)methanol?
(3-heptylfuran-2-yl)methanol has a molecular weight of 196.29 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-heptylfuran-2-yl)methanol is sourced from PubChem (CID 14791772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).