[2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol

C12H16O3 — CID 90161973

IUPAC[2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol
SMILESC/C=C/c1cc(OC)c(CO)cc1OC
InChIInChI=1S/C12H16O3/c1-4-5-9-6-12(15-3)10(8-13)7-11(9)14-2/h4-7,13H,8H2,1-3H3/b5-4+
InChIKeyKXQOKOQQBZUOQJ-SNAWJCMRSA-N
MW208.26 g/mol
LogP2.23
Rot. Bonds4

About [2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol

[2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol (PubChem CID 90161973) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is [2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol
PubChem CID90161973
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name[2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol
SMILESC/C=C/c1cc(OC)c(CO)cc1OC
InChIInChI=1S/C12H16O3/c1-4-5-9-6-12(15-3)10(8-13)7-11(9)14-2/h4-7,13H,8H2,1-3H3/b5-4+
InChIKeyKXQOKOQQBZUOQJ-SNAWJCMRSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde
CID 14545007
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
(2-ethenyl-4,5-dimethoxyphenyl)methanol
CID 121218143
5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline
CID 143658622
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene
CID 46906491
(NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
CID 134891354
2,3,6-trimethoxy-5-prop-1-enylphenol
CID 85344788
(2E,6E)-2-[(2,5-dimethoxy-4-methylphenyl)methylidene]-6-[[4-(hydroxymethyl)-2,5-dimethoxyphenyl]methylidene]cyclohexan-1-one
CID 157192811
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol
CID 10512550
2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 174237959

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol?
The IUPAC name of [2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol (CID 90161973) is [2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol.
What is the SMILES notation for [2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol?
The canonical SMILES for [2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol is C/C=C/c1cc(OC)c(CO)cc1OC.
What is the InChIKey of [2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol?
The InChIKey is KXQOKOQQBZUOQJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-5-9-6-12(15-3)10(8-13)7-11(9)14-2/h4-7,13H,8H2,1-3H3/b5-4+.
What are the key properties of [2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol?
[2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol has a molecular weight of 208.26 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol is sourced from PubChem (CID 90161973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).