(E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol

C11H16O3 — CID 163678798

IUPAC(E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol
SMILESCOC1=CC(OC)CC=C1/C=C/CO
InChIInChI=1S/C11H16O3/c1-13-10-6-5-9(4-3-7-12)11(8-10)14-2/h3-5,8,10,12H,6-7H2,1-2H3/b4-3+
InChIKeyJJAYNOBTBGBZQM-ONEGZZNKSA-N
MW196.25 g/mol
LogP1.41
Rot. Bonds4

About (E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol

(E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol (PubChem CID 163678798) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol
PubChem CID163678798
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol
SMILESCOC1=CC(OC)CC=C1/C=C/CO
InChIInChI=1S/C11H16O3/c1-13-10-6-5-9(4-3-7-12)11(8-10)14-2/h3-5,8,10,12H,6-7H2,1-2H3/b4-3+
InChIKeyJJAYNOBTBGBZQM-ONEGZZNKSA-N
XLogP1.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(NE)-N-[(2,4,6-trimethoxycyclohexa-1,5-dien-1-yl)methylidene]hydroxylamine
CID 90473111
3-(3,5-dimethoxyphenyl)prop-2-en-1-ol
CID 71346140
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
2,5-dimethoxycyclohexa-1,3-diene
CID 13404344
2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone
CID 149411620
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol
CID 10512550
3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453813
(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol
CID 177209420
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol (CID 163678798) is (E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol is COC1=CC(OC)CC=C1/C=C/CO.
What is the InChIKey of (E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol?
The InChIKey is JJAYNOBTBGBZQM-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H16O3/c1-13-10-6-5-9(4-3-7-12)11(8-10)14-2/h3-5,8,10,12H,6-7H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol?
(E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol has a molecular weight of 196.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol is sourced from PubChem (CID 163678798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).