(4-prop-2-enoxyphenyl)methanetriol

C10H12O4 — CID 57095979

IUPAC(4-prop-2-enoxyphenyl)methanetriol
SMILESC=CCOc1ccc(C(O)(O)O)cc1
InChIInChI=1S/C10H12O4/c1-2-7-14-9-5-3-8(4-6-9)10(11,12)13/h2-6,11-13H,1,7H2
InChIKeyXKLYZQXRHZEWOI-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.34
Rot. Bonds4

About (4-prop-2-enoxyphenyl)methanetriol

(4-prop-2-enoxyphenyl)methanetriol (PubChem CID 57095979) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (4-prop-2-enoxyphenyl)methanetriol.

Molecular Properties

Compound Name(4-prop-2-enoxyphenyl)methanetriol
PubChem CID57095979
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(4-prop-2-enoxyphenyl)methanetriol
SMILESC=CCOc1ccc(C(O)(O)O)cc1
InChIInChI=1S/C10H12O4/c1-2-7-14-9-5-3-8(4-6-9)10(11,12)13/h2-6,11-13H,1,7H2
InChIKeyXKLYZQXRHZEWOI-UHFFFAOYSA-N
XLogP0.34
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1,1,1,3,3,3-hexachloro-2-(4-prop-2-enoxyphenyl)propan-2-yl]-4-prop-2-enoxybenzene
CID 139776555
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
(4-prop-2-enoxyphenyl)hydrazine
CID 14980521
1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene
CID 22556356
phenol;4-prop-2-enoxyphenol
CID 70303777
CID 174846151
CID 174846151
(1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol
CID 71494810
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enoxyphenyl)methanetriol?
The IUPAC name of (4-prop-2-enoxyphenyl)methanetriol (CID 57095979) is (4-prop-2-enoxyphenyl)methanetriol.
What is the SMILES notation for (4-prop-2-enoxyphenyl)methanetriol?
The canonical SMILES for (4-prop-2-enoxyphenyl)methanetriol is C=CCOc1ccc(C(O)(O)O)cc1.
What is the InChIKey of (4-prop-2-enoxyphenyl)methanetriol?
The InChIKey is XKLYZQXRHZEWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-2-7-14-9-5-3-8(4-6-9)10(11,12)13/h2-6,11-13H,1,7H2.
What are the key properties of (4-prop-2-enoxyphenyl)methanetriol?
(4-prop-2-enoxyphenyl)methanetriol has a molecular weight of 196.20 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoxyphenyl)methanetriol is sourced from PubChem (CID 57095979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).