acetylene;(1S)-1-(furan-2-yl)propan-1-ol

C9H12O2 — CID 143788269

IUPACacetylene;(1S)-1-(furan-2-yl)propan-1-ol
SMILESC#C.CC[C@H](O)c1ccco1
InChIInChI=1S/C7H10O2.C2H2/c1-2-6(8)7-4-3-5-9-7;1-2/h3-6,8H,2H2,1H3;1-2H/t6-;/m0./s1
InChIKeyNJSRFCJCLYSXTM-RGMNGODLSA-N
MW152.19 g/mol
LogP1.97
Rot. Bonds2

About acetylene;(1S)-1-(furan-2-yl)propan-1-ol

acetylene;(1S)-1-(furan-2-yl)propan-1-ol (PubChem CID 143788269) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is acetylene;(1S)-1-(furan-2-yl)propan-1-ol.

Molecular Properties

Compound Nameacetylene;(1S)-1-(furan-2-yl)propan-1-ol
PubChem CID143788269
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Nameacetylene;(1S)-1-(furan-2-yl)propan-1-ol
SMILESC#C.CC[C@H](O)c1ccco1
InChIInChI=1S/C7H10O2.C2H2/c1-2-6(8)7-4-3-5-9-7;1-2/h3-6,8H,2H2,1H3;1-2H/t6-;/m0./s1
InChIKeyNJSRFCJCLYSXTM-RGMNGODLSA-N
XLogP1.97
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
1-(furan-2-yl)decan-1-ol
CID 11085452
1-(furan-2-yl)propane-1-thiol
CID 62631809
1-(furan-2-yl)pentane-1,3,4-triol
CID 175602784
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
3-chloro-1-(furan-2-yl)propan-1-ol
CID 77242319
(1R)-3-chloro-1-(furan-2-yl)propan-1-ol
CID 67216727
dimethanidyl(dimethyl)silane;1-(furan-2-yl)pentan-1-ol;titanium(2+)
CID 20687674
4-[diethyl(methyl)silyl]-1-(furan-2-yl)butan-1-ol
CID 165347785
1-(furan-2-yl)-4-methylpent-3-en-1-ol
CID 15350980

Frequently Asked Questions

What is the IUPAC name of acetylene;(1S)-1-(furan-2-yl)propan-1-ol?
The IUPAC name of acetylene;(1S)-1-(furan-2-yl)propan-1-ol (CID 143788269) is acetylene;(1S)-1-(furan-2-yl)propan-1-ol.
What is the SMILES notation for acetylene;(1S)-1-(furan-2-yl)propan-1-ol?
The canonical SMILES for acetylene;(1S)-1-(furan-2-yl)propan-1-ol is C#C.CC[C@H](O)c1ccco1.
What is the InChIKey of acetylene;(1S)-1-(furan-2-yl)propan-1-ol?
The InChIKey is NJSRFCJCLYSXTM-RGMNGODLSA-N. The full InChI is InChI=1S/C7H10O2.C2H2/c1-2-6(8)7-4-3-5-9-7;1-2/h3-6,8H,2H2,1H3;1-2H/t6-;/m0./s1.
What are the key properties of acetylene;(1S)-1-(furan-2-yl)propan-1-ol?
acetylene;(1S)-1-(furan-2-yl)propan-1-ol has a molecular weight of 152.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(1S)-1-(furan-2-yl)propan-1-ol is sourced from PubChem (CID 143788269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).