(5-benzylfuran-2-yl)methanol

C12H12O2 — CID 30149

IUPAC(5-benzylfuran-2-yl)methanol
SMILESOCc1ccc(Cc2ccccc2)o1
InChIInChI=1S/C12H12O2/c13-9-12-7-6-11(14-12)8-10-4-2-1-3-5-10/h1-7,13H,8-9H2
InChIKeyPHXXNWVSXYIPEI-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.36
Rot. Bonds3

About (5-benzylfuran-2-yl)methanol

(5-benzylfuran-2-yl)methanol (PubChem CID 30149) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (5-benzylfuran-2-yl)methanol.

Molecular Properties

Compound Name(5-benzylfuran-2-yl)methanol
PubChem CID30149
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(5-benzylfuran-2-yl)methanol
SMILESOCc1ccc(Cc2ccccc2)o1
InChIInChI=1S/C12H12O2/c13-9-12-7-6-11(14-12)8-10-4-2-1-3-5-10/h1-7,13H,8-9H2
InChIKeyPHXXNWVSXYIPEI-UHFFFAOYSA-N
XLogP2.36
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-1-(4-(hydroxyethoxy)phenyl)-2-methyl-1-propanone
CID 86266
5-Methylfurfuryl alcohol
CID 520911
Phenethyl 2-furoate
CID 251531
2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
Benzofuran-2-carboxylic acid
CID 10331
5-[2-(Trifluoromethyl)phenyl]furan-2-carboxylic acid
CID 647499
2,5-Furandimethanol
CID 74663
5-(2-Methoxyphenyl)-2-furoic acid
CID 776315
Acrylophenone, 3-(2-furyl)-
CID 5354164
3-Methyl-1-benzofuran-2-carboxylic acid
CID 600591
Bipinnatin J
CID 5470115
[5-(4-Chlorophenyl)-2-furyl]methanol
CID 738660

Frequently Asked Questions

What is the IUPAC name of (5-benzylfuran-2-yl)methanol?
The IUPAC name of (5-benzylfuran-2-yl)methanol (CID 30149) is (5-benzylfuran-2-yl)methanol.
What is the SMILES notation for (5-benzylfuran-2-yl)methanol?
The canonical SMILES for (5-benzylfuran-2-yl)methanol is OCc1ccc(Cc2ccccc2)o1.
What is the InChIKey of (5-benzylfuran-2-yl)methanol?
The InChIKey is PHXXNWVSXYIPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-9-12-7-6-11(14-12)8-10-4-2-1-3-5-10/h1-7,13H,8-9H2.
What are the key properties of (5-benzylfuran-2-yl)methanol?
(5-benzylfuran-2-yl)methanol has a molecular weight of 188.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzylfuran-2-yl)methanol is sourced from PubChem (CID 30149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).