1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one

C10H14O2 — CID 156646654

IUPAC1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one
SMILESCC(=O)C(O)C1=CCCC(C)=C1
InChIInChI=1S/C10H14O2/c1-7-4-3-5-9(6-7)10(12)8(2)11/h5-6,10,12H,3-4H2,1-2H3
InChIKeyCXXUETCLMQIHCB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.60
Rot. Bonds2

About 1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one

1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one (PubChem CID 156646654) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one
PubChem CID156646654
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one
SMILESCC(=O)C(O)C1=CCCC(C)=C1
InChIInChI=1S/C10H14O2/c1-7-4-3-5-9(6-7)10(12)8(2)11/h5-6,10,12H,3-4H2,1-2H3
InChIKeyCXXUETCLMQIHCB-UHFFFAOYSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 14219118
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
ethane;5-methylcyclohexa-1,5-dien-1-amine
CID 144692983
ethane;3-fluoro-1-methylcyclohexa-1,3-diene
CID 144598222
ethane;1-methylcyclobutene
CID 91484029
1-methylcyclobutene;sulfane
CID 90109296
hexane-2,5-dione;3-methylcyclopent-2-en-1-one
CID 158719806
3-ethyl-1-methylcyclohexa-1,3-diene
CID 91479514
(1E,5E)-5-methyl-9-oxocyclonona-1,5-diene-1-carboxylic acid
CID 78426242
1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol
CID 89393276
ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene
CID 143985958
ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide
CID 170725421

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one?
The IUPAC name of 1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one (CID 156646654) is 1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one.
What is the SMILES notation for 1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one?
The canonical SMILES for 1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one is CC(=O)C(O)C1=CCCC(C)=C1.
What is the InChIKey of 1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one?
The InChIKey is CXXUETCLMQIHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-4-3-5-9(6-7)10(12)8(2)11/h5-6,10,12H,3-4H2,1-2H3.
What are the key properties of 1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one?
1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one is sourced from PubChem (CID 156646654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).