(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol

C10H12O3 — CID 88979121

IUPAC(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
SMILESCOc1ccc(/C=C/C(O)O)cc1
InChIInChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7,10-12H,1H3/b7-4+
InChIKeyOFXWYFXNUUXQNC-QPJJXVBHSA-N
MW180.20 g/mol
LogP1.02
Rot. Bonds3

About (E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol

(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol (PubChem CID 88979121) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
PubChem CID88979121
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
SMILESCOc1ccc(/C=C/C(O)O)cc1
InChIInChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7,10-12H,1H3/b7-4+
InChIKeyOFXWYFXNUUXQNC-QPJJXVBHSA-N
XLogP1.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
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

(E,2S)-1-chloro-4-(4-methoxyphenyl)but-3-en-2-ol
CID 102199471
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-(4-methoxyphenyl)hexa-1,5-dien-3-ol
CID 53401972
(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol
CID 6366807
3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol
CID 78103173
(E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid
CID 105460059
methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate
CID 139242095
(E)-4-hydroxy-6-(4-methoxyphenyl)hex-5-en-2-ynoic acid
CID 23051861
1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene
CID 14939551
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
(E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol
CID 162418078

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol?
The IUPAC name of (E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol (CID 88979121) is (E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol?
The canonical SMILES for (E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol is COc1ccc(/C=C/C(O)O)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol?
The InChIKey is OFXWYFXNUUXQNC-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7,10-12H,1H3/b7-4+.
What are the key properties of (E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol?
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol has a molecular weight of 180.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol is sourced from PubChem (CID 88979121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).