4-cyclohexa-1,5-dien-1-yloxyphenol

C12H12O2 — CID 129018393

IUPAC4-cyclohexa-1,5-dien-1-yloxyphenol
SMILESOc1ccc(OC2=CCCC=C2)cc1
InChIInChI=1S/C12H12O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4-9,13H,1,3H2
InChIKeyDFEWVWPZLYHMKP-UHFFFAOYSA-N
MW188.23 g/mol
LogP3.00
Rot. Bonds2

About 4-cyclohexa-1,5-dien-1-yloxyphenol

4-cyclohexa-1,5-dien-1-yloxyphenol (PubChem CID 129018393) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yloxyphenol.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yloxyphenol
PubChem CID129018393
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name4-cyclohexa-1,5-dien-1-yloxyphenol
SMILESOc1ccc(OC2=CCCC=C2)cc1
InChIInChI=1S/C12H12O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4-9,13H,1,3H2
InChIKeyDFEWVWPZLYHMKP-UHFFFAOYSA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenoxyethanol
CID 31236
4-Methoxyphenol
CID 9015
Monobenzone
CID 7638
Diphenyl Ether
CID 7583
1,4-Dimethoxybenzene
CID 9016
4-Phenoxyphenol
CID 13254
4-Ethoxyphenol
CID 12150
Phenetole
CID 7674
4,4'-Dihydroxydiphenyl ether
CID 16069
3-Phenoxyphenol
CID 12842
2,2'-(p-Phenylenedioxy)diethanol
CID 66912
2-Phenoxy-1-propanol
CID 20129

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yloxyphenol?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yloxyphenol (CID 129018393) is 4-cyclohexa-1,5-dien-1-yloxyphenol.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yloxyphenol?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yloxyphenol is Oc1ccc(OC2=CCCC=C2)cc1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yloxyphenol?
The InChIKey is DFEWVWPZLYHMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4-9,13H,1,3H2.
What are the key properties of 4-cyclohexa-1,5-dien-1-yloxyphenol?
4-cyclohexa-1,5-dien-1-yloxyphenol has a molecular weight of 188.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yloxyphenol is sourced from PubChem (CID 129018393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).