1-(3-hydroxy-3H-inden-1-yl)hexan-1-one

C15H18O2 — CID 118352509

IUPAC1-(3-hydroxy-3H-inden-1-yl)hexan-1-one
SMILESCCCCCC(=O)C1=CC(O)c2ccccc21
InChIInChI=1S/C15H18O2/c1-2-3-4-9-14(16)13-10-15(17)12-8-6-5-7-11(12)13/h5-8,10,15,17H,2-4,9H2,1H3
InChIKeyRRHPCBDZHPXHRF-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.27
Rot. Bonds5

About 1-(3-hydroxy-3H-inden-1-yl)hexan-1-one

1-(3-hydroxy-3H-inden-1-yl)hexan-1-one (PubChem CID 118352509) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3-hydroxy-3H-inden-1-yl)hexan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-3H-inden-1-yl)hexan-1-one
PubChem CID118352509
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(3-hydroxy-3H-inden-1-yl)hexan-1-one
SMILESCCCCCC(=O)C1=CC(O)c2ccccc21
InChIInChI=1S/C15H18O2/c1-2-3-4-9-14(16)13-10-15(17)12-8-6-5-7-11(12)13/h5-8,10,15,17H,2-4,9H2,1H3
InChIKeyRRHPCBDZHPXHRF-UHFFFAOYSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(3-hydroxy-3H-inden-1-yl)propanoic acid
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1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[(9Z)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one
CID 101025623
1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one
CID 15475042
1-[(9Z)-9-(2-octadecanoylfluoren-9-ylidene)fluoren-2-yl]octadecan-1-one
CID 11251489
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
(3-oxo-1H-2-benzofuran-1-yl) heptanoate
CID 10753938
9-nonyl-9H-fluorene
CID 22568532

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3H-inden-1-yl)hexan-1-one?
The IUPAC name of 1-(3-hydroxy-3H-inden-1-yl)hexan-1-one (CID 118352509) is 1-(3-hydroxy-3H-inden-1-yl)hexan-1-one.
What is the SMILES notation for 1-(3-hydroxy-3H-inden-1-yl)hexan-1-one?
The canonical SMILES for 1-(3-hydroxy-3H-inden-1-yl)hexan-1-one is CCCCCC(=O)C1=CC(O)c2ccccc21.
What is the InChIKey of 1-(3-hydroxy-3H-inden-1-yl)hexan-1-one?
The InChIKey is RRHPCBDZHPXHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-3-4-9-14(16)13-10-15(17)12-8-6-5-7-11(12)13/h5-8,10,15,17H,2-4,9H2,1H3.
What are the key properties of 1-(3-hydroxy-3H-inden-1-yl)hexan-1-one?
1-(3-hydroxy-3H-inden-1-yl)hexan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3H-inden-1-yl)hexan-1-one is sourced from PubChem (CID 118352509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).