10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one

C18H16O3 — CID 102387194

IUPAC10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one
SMILESC=C(CO)CC1(O)C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H16O3/c1-12(11-19)10-18(21)16-9-5-4-7-14(16)13-6-2-3-8-15(13)17(18)20/h2-9,19,21H,1,10-11H2
InChIKeyLMYLKWJXBLEFMZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.68
Rot. Bonds3

About 10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one

10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one (PubChem CID 102387194) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one.

Molecular Properties

Compound Name10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one
PubChem CID102387194
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one
SMILESC=C(CO)CC1(O)C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H16O3/c1-12(11-19)10-18(21)16-9-5-4-7-14(16)13-6-2-3-8-15(13)17(18)20/h2-9,19,21H,1,10-11H2
InChIKeyLMYLKWJXBLEFMZ-UHFFFAOYSA-N
XLogP2.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2,2,3,3-tetrahydroxyinden-1-one
CID 141431232
9-(methylaminomethyl)fluoren-9-ol
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2-hydroxy-2-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)prop-2-enyl]indene-1,3-dione
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9-but-2-ynylfluoren-9-ol
CID 155470796
2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione
CID 10014708
2-[2-(3,4-difluorophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione
CID 10041427
4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione
CID 15370514
9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol
CID 161282219
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CID 134831051

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one?
The IUPAC name of 10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one (CID 102387194) is 10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one.
What is the SMILES notation for 10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one?
The canonical SMILES for 10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one is C=C(CO)CC1(O)C(=O)c2ccccc2-c2ccccc21.
What is the InChIKey of 10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one?
The InChIKey is LMYLKWJXBLEFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-12(11-19)10-18(21)16-9-5-4-7-14(16)13-6-2-3-8-15(13)17(18)20/h2-9,19,21H,1,10-11H2.
What are the key properties of 10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one?
10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one has a molecular weight of 280.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one is sourced from PubChem (CID 102387194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).