1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone

C20H26O2 — CID 126607643

IUPAC1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone
SMILESCCC1C2CC3CC(CC31)C(C(=O)C(O)c1ccccc1)C2
InChIInChI=1S/C20H26O2/c1-2-16-14-8-13-9-15(10-17(13)16)18(11-14)20(22)19(21)12-6-4-3-5-7-12/h3-7,13-19,21H,2,8-11H2,1H3
InChIKeyVEFYZPPFWBBARK-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone

1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone (PubChem CID 126607643) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone
PubChem CID126607643
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone
SMILESCCC1C2CC3CC(CC31)C(C(=O)C(O)c1ccccc1)C2
InChIInChI=1S/C20H26O2/c1-2-16-14-8-13-9-15(10-17(13)16)18(11-14)20(22)19(21)12-6-4-3-5-7-12/h3-7,13-19,21H,2,8-11H2,1H3
InChIKeyVEFYZPPFWBBARK-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone with MolForge

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Related Compounds

1-hydroxy-1-phenyl-3-(10-tricyclo[4.3.1.03,8]decanyl)propan-2-one
CID 126621331
2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone
CID 103458039
1-(2-ethyl-3-bicyclo[3.1.0]hexanyl)ethanol
CID 89331545
2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392534
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-hydroxy-2-phenylethanone
CID 66208719
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 130979849
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone (CID 126607643) is 1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone is CCC1C2CC3CC(CC31)C(C(=O)C(O)c1ccccc1)C2.
What is the InChIKey of 1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone?
The InChIKey is VEFYZPPFWBBARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-2-16-14-8-13-9-15(10-17(13)16)18(11-14)20(22)19(21)12-6-4-3-5-7-12/h3-7,13-19,21H,2,8-11H2,1H3.
What are the key properties of 1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone?
1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone has a molecular weight of 298.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-9-tricyclo[3.3.2.03,7]decanyl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 126607643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).