furan-3-yl-(1-hydroxycycloheptyl)methanone

C12H16O3 — CID 103450360

IUPACfuran-3-yl-(1-hydroxycycloheptyl)methanone
SMILESO=C(c1ccoc1)C1(O)CCCCCC1
InChIInChI=1S/C12H16O3/c13-11(10-5-8-15-9-10)12(14)6-3-1-2-4-7-12/h5,8-9,14H,1-4,6-7H2
InChIKeyJZXOXRQJRSSNEQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.55
Rot. Bonds2

About furan-3-yl-(1-hydroxycycloheptyl)methanone

furan-3-yl-(1-hydroxycycloheptyl)methanone (PubChem CID 103450360) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is furan-3-yl-(1-hydroxycycloheptyl)methanone.

Molecular Properties

Compound Namefuran-3-yl-(1-hydroxycycloheptyl)methanone
PubChem CID103450360
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namefuran-3-yl-(1-hydroxycycloheptyl)methanone
SMILESO=C(c1ccoc1)C1(O)CCCCCC1
InChIInChI=1S/C12H16O3/c13-11(10-5-8-15-9-10)12(14)6-3-1-2-4-7-12/h5,8-9,14H,1-4,6-7H2
InChIKeyJZXOXRQJRSSNEQ-UHFFFAOYSA-N
XLogP2.55
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-3-yl-(1-methylcyclohexyl)methanone
CID 106829578
(1-ethoxycyclopentyl)-(furan-3-yl)methanone
CID 116747796
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone
CID 175084066
hydrazine;(1-hydroxycyclohexyl)-phenylmethanone
CID 161340998
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide
CID 114303305
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
CID 20523462
1-(furan-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151397
furan-3-yl-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]methanone
CID 110905169
1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120540079
(2-amino-1-methylcyclopentyl)-(furan-3-yl)methanone
CID 116607397

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(1-hydroxycycloheptyl)methanone?
The IUPAC name of furan-3-yl-(1-hydroxycycloheptyl)methanone (CID 103450360) is furan-3-yl-(1-hydroxycycloheptyl)methanone.
What is the SMILES notation for furan-3-yl-(1-hydroxycycloheptyl)methanone?
The canonical SMILES for furan-3-yl-(1-hydroxycycloheptyl)methanone is O=C(c1ccoc1)C1(O)CCCCCC1.
What is the InChIKey of furan-3-yl-(1-hydroxycycloheptyl)methanone?
The InChIKey is JZXOXRQJRSSNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-11(10-5-8-15-9-10)12(14)6-3-1-2-4-7-12/h5,8-9,14H,1-4,6-7H2.
What are the key properties of furan-3-yl-(1-hydroxycycloheptyl)methanone?
furan-3-yl-(1-hydroxycycloheptyl)methanone has a molecular weight of 208.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(1-hydroxycycloheptyl)methanone is sourced from PubChem (CID 103450360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).