1-(5-methylfuran-3-yl)ethanol

C7H10O2 — CID 112692743

IUPAC1-(5-methylfuran-3-yl)ethanol
SMILESCc1cc(C(C)O)co1
InChIInChI=1S/C7H10O2/c1-5-3-7(4-9-5)6(2)8/h3-4,6,8H,1-2H3
InChIKeyUQKNDWRZGMQNLE-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.64
Rot. Bonds1

About 1-(5-methylfuran-3-yl)ethanol

1-(5-methylfuran-3-yl)ethanol (PubChem CID 112692743) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-(5-methylfuran-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-methylfuran-3-yl)ethanol
PubChem CID112692743
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-(5-methylfuran-3-yl)ethanol
SMILESCc1cc(C(C)O)co1
InChIInChI=1S/C7H10O2/c1-5-3-7(4-9-5)6(2)8/h3-4,6,8H,1-2H3
InChIKeyUQKNDWRZGMQNLE-UHFFFAOYSA-N
XLogP1.64
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(5-methylfuran-3-yl)butan-1-ol
CID 115823362
2-methyl-1-(5-methylfuran-3-yl)pentan-1-ol
CID 107894707
1-(5-methylfuran-3-yl)but-3-ene-1,2-diol
CID 130149487
(2S)-2-amino-2-(5-methylfuran-3-yl)ethanol
CID 96735872
1-(5-methylfuran-3-yl)pent-3-yn-1-ol
CID 115779861
(5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine
CID 114820136
2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol
CID 115786196
(5-methylfuran-3-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 114822264
(2,4-difluorophenyl)-(5-methylfuran-3-yl)methanol
CID 114822277
(6-methoxynaphthalen-2-yl)-(5-methylfuran-3-yl)methanol
CID 114822321
4-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-2-methylfuran
CID 114822406
(3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
CID 115796793

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-3-yl)ethanol?
The IUPAC name of 1-(5-methylfuran-3-yl)ethanol (CID 112692743) is 1-(5-methylfuran-3-yl)ethanol.
What is the SMILES notation for 1-(5-methylfuran-3-yl)ethanol?
The canonical SMILES for 1-(5-methylfuran-3-yl)ethanol is Cc1cc(C(C)O)co1.
What is the InChIKey of 1-(5-methylfuran-3-yl)ethanol?
The InChIKey is UQKNDWRZGMQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-7(4-9-5)6(2)8/h3-4,6,8H,1-2H3.
What are the key properties of 1-(5-methylfuran-3-yl)ethanol?
1-(5-methylfuran-3-yl)ethanol has a molecular weight of 126.15 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-3-yl)ethanol is sourced from PubChem (CID 112692743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).