[3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol

C11H13ClO3 — CID 28562270

IUPAC[3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1OC/C=C/Cl
InChIInChI=1S/C11H13ClO3/c1-14-10-4-3-9(8-13)7-11(10)15-6-2-5-12/h2-5,7,13H,6,8H2,1H3/b5-2+
InChIKeyVMTUDTRPYDVNIW-GORDUTHDSA-N
MW228.67 g/mol
LogP2.32
Rot. Bonds5

About [3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol

[3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol (PubChem CID 28562270) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is [3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol
PubChem CID28562270
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name[3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1OC/C=C/Cl
InChIInChI=1S/C11H13ClO3/c1-14-10-4-3-9(8-13)7-11(10)15-6-2-5-12/h2-5,7,13H,6,8H2,1H3/b5-2+
InChIKeyVMTUDTRPYDVNIW-GORDUTHDSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid
CID 142791148
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
CID 61071627
[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol
CID 62700689
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
acetic acid;[5-(hydroxymethyl)-2-methoxyphenyl] acetate
CID 71380784
[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 107882229
5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
CID 114281672

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol?
The IUPAC name of [3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol (CID 28562270) is [3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol?
The canonical SMILES for [3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol is COc1ccc(CO)cc1OC/C=C/Cl.
What is the InChIKey of [3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol?
The InChIKey is VMTUDTRPYDVNIW-GORDUTHDSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-14-10-4-3-9(8-13)7-11(10)15-6-2-5-12/h2-5,7,13H,6,8H2,1H3/b5-2+.
What are the key properties of [3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol?
[3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol has a molecular weight of 228.67 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol is sourced from PubChem (CID 28562270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).