1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one

C9H12O2 — CID 67678187

IUPAC1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one
SMILESCCC(=O)C1(O)C=CC=CC1
InChIInChI=1S/C9H12O2/c1-2-8(10)9(11)6-4-3-5-7-9/h3-6,11H,2,7H2,1H3
InChIKeyVOXISGQFEYBNDY-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.21
Rot. Bonds2

About 1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one

1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one (PubChem CID 67678187) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one
PubChem CID67678187
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one
SMILESCCC(=O)C1(O)C=CC=CC1
InChIInChI=1S/C9H12O2/c1-2-8(10)9(11)6-4-3-5-7-9/h3-6,11H,2,7H2,1H3
InChIKeyVOXISGQFEYBNDY-UHFFFAOYSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one?
The IUPAC name of 1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one (CID 67678187) is 1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one.
What is the SMILES notation for 1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one?
The canonical SMILES for 1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one is CCC(=O)C1(O)C=CC=CC1.
What is the InChIKey of 1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one?
The InChIKey is VOXISGQFEYBNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-8(10)9(11)6-4-3-5-7-9/h3-6,11H,2,7H2,1H3.
What are the key properties of 1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one?
1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one is sourced from PubChem (CID 67678187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).