[4-(1-methoxyethenyl)phenyl]methanediol

C10H12O3 — CID 118121017

IUPAC[4-(1-methoxyethenyl)phenyl]methanediol
SMILESC=C(OC)c1ccc(C(O)O)cc1
InChIInChI=1S/C10H12O3/c1-7(13-2)8-3-5-9(6-4-8)10(11)12/h3-6,10-12H,1H2,2H3
InChIKeyHCWHXOWQMKYZDG-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.29
Rot. Bonds3

About [4-(1-methoxyethenyl)phenyl]methanediol

[4-(1-methoxyethenyl)phenyl]methanediol (PubChem CID 118121017) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is [4-(1-methoxyethenyl)phenyl]methanediol.

Molecular Properties

Compound Name[4-(1-methoxyethenyl)phenyl]methanediol
PubChem CID118121017
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name[4-(1-methoxyethenyl)phenyl]methanediol
SMILESC=C(OC)c1ccc(C(O)O)cc1
InChIInChI=1S/C10H12O3/c1-7(13-2)8-3-5-9(6-4-8)10(11)12/h3-6,10-12H,1H2,2H3
InChIKeyHCWHXOWQMKYZDG-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine
CID 143346288
(1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine
CID 143345571
4-(1-methoxyethenyl)aniline
CID 67566303
1-ethyl-4-(1-methoxyethenyl)benzene
CID 89277567
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
2-[4-(1-methoxyethenyl)phenyl]acetic acid
CID 91083369
(4-methoxyphenyl)methanediol;titanium;bis(titanium(3+));dihydrate
CID 139244940
1,2-ditert-butyl-4-(1-methoxyethenyl)benzene
CID 167641415
2-[hydroxy-(4-methoxycarbonylphenyl)methyl]prop-2-enoic acid
CID 59245023
1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine
CID 165469702
1-(4-chlorophenyl)ethenyl methyl carbonate
CID 11085134
3-(1-methoxyethenyl)aniline
CID 89340134

Frequently Asked Questions

What is the IUPAC name of [4-(1-methoxyethenyl)phenyl]methanediol?
The IUPAC name of [4-(1-methoxyethenyl)phenyl]methanediol (CID 118121017) is [4-(1-methoxyethenyl)phenyl]methanediol.
What is the SMILES notation for [4-(1-methoxyethenyl)phenyl]methanediol?
The canonical SMILES for [4-(1-methoxyethenyl)phenyl]methanediol is C=C(OC)c1ccc(C(O)O)cc1.
What is the InChIKey of [4-(1-methoxyethenyl)phenyl]methanediol?
The InChIKey is HCWHXOWQMKYZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(13-2)8-3-5-9(6-4-8)10(11)12/h3-6,10-12H,1H2,2H3.
What are the key properties of [4-(1-methoxyethenyl)phenyl]methanediol?
[4-(1-methoxyethenyl)phenyl]methanediol has a molecular weight of 180.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methoxyethenyl)phenyl]methanediol is sourced from PubChem (CID 118121017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).