cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol

C13H14O3 — CID 135271530

IUPACcyclohexa-2,4-dien-1-yloxy(phenoxy)methanol
SMILESOC(Oc1ccccc1)OC1C=CC=CC1
InChIInChI=1S/C13H14O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-9,12-14H,10H2
InChIKeyBUPZOSUZAOQCJN-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.24
Rot. Bonds4

About cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol

cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol (PubChem CID 135271530) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-yloxy(phenoxy)methanol
PubChem CID135271530
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namecyclohexa-2,4-dien-1-yloxy(phenoxy)methanol
SMILESOC(Oc1ccccc1)OC1C=CC=CC1
InChIInChI=1S/C13H14O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-9,12-14H,10H2
InChIKeyBUPZOSUZAOQCJN-UHFFFAOYSA-N
XLogP2.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene
CID 163860196
hydroxymethoxy(phenoxy)methanol
CID 143884409
2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol
CID 146244066
1-phenoxyethanol
CID 66611531
di(cyclohexa-2,4-dien-1-yloxy)methanimine
CID 163641188
trihydroxy(phenoxy)phosphanium
CID 11592959
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281
7-methoxycycloocta-1,3,5-triene
CID 71368516
1-phenoxyethanol;trihydrate
CID 175915128
1-cyclohexa-2,4-dien-1-yloxy-4-ethylbenzene
CID 123160220
[cyclohexa-2,4-dien-1-yl(iodo)methyl]benzene
CID 89349773
1-phenoxypropane-1,2-diol
CID 22140567

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol?
The IUPAC name of cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol (CID 135271530) is cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol.
What is the SMILES notation for cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol?
The canonical SMILES for cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol is OC(Oc1ccccc1)OC1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol?
The InChIKey is BUPZOSUZAOQCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-9,12-14H,10H2.
What are the key properties of cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol?
cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol has a molecular weight of 218.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol is sourced from PubChem (CID 135271530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).