1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone

C14H16O2 — CID 118124476

IUPAC1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone
SMILESCC(=O)C1=CC=C(C2=CCCC=C2O)CC1
InChIInChI=1S/C14H16O2/c1-10(15)11-6-8-12(9-7-11)13-4-2-3-5-14(13)16/h4-6,8,16H,2-3,7,9H2,1H3
InChIKeyFJOVPPOPJIBJTO-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.38
Rot. Bonds2

About 1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone

1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone (PubChem CID 118124476) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone
PubChem CID118124476
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone
SMILESCC(=O)C1=CC=C(C2=CCCC=C2O)CC1
InChIInChI=1S/C14H16O2/c1-10(15)11-6-8-12(9-7-11)13-4-2-3-5-14(13)16/h4-6,8,16H,2-3,7,9H2,1H3
InChIKeyFJOVPPOPJIBJTO-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone?
The IUPAC name of 1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone (CID 118124476) is 1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone is CC(=O)C1=CC=C(C2=CCCC=C2O)CC1.
What is the InChIKey of 1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone?
The InChIKey is FJOVPPOPJIBJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10(15)11-6-8-12(9-7-11)13-4-2-3-5-14(13)16/h4-6,8,16H,2-3,7,9H2,1H3.
What are the key properties of 1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone?
1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone has a molecular weight of 216.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-hydroxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone is sourced from PubChem (CID 118124476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).