4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid

C18H18O6 — CID 159607739

IUPAC4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid
SMILESCOc1ccccc1CC=Cc1ccc(O)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H16O2.C2H2O4/c1-18-16-8-3-2-6-14(16)7-4-5-13-9-11-15(17)12-10-13;3-1(4)2(5)6/h2-6,8-12,17H,7H2,1H3;(H,3,4)(H,5,6)
InChIKeyMMHHMDBNIAZIKL-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.81
Rot. Bonds4

About 4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid

4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid (PubChem CID 159607739) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid.

Molecular Properties

Compound Name4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid
PubChem CID159607739
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Name4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid
SMILESCOc1ccccc1CC=Cc1ccc(O)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H16O2.C2H2O4/c1-18-16-8-3-2-6-14(16)7-4-5-13-9-11-15(17)12-10-13;3-1(4)2(5)6/h2-6,8-12,17H,7H2,1H3;(H,3,4)(H,5,6)
InChIKeyMMHHMDBNIAZIKL-UHFFFAOYSA-N
XLogP2.81
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxyphenyl)pent-3-en-2-one
CID 56996331
1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 15305963
methyl (E)-5-(2-methoxyphenyl)pent-3-enoate
CID 101147955
(E)-4-(2-methoxyphenyl)but-2-en-1-ol
CID 15500390
1-methoxy-2-(4-phenylbut-2-enyl)benzene
CID 91447895
1-(3-bromoprop-2-enyl)-2-methoxybenzene
CID 141455230
2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid
CID 162893724
1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene
CID 70537226
N-ethyl-2-(2-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46995618
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
2-methoxyphenol;oxalic acid
CID 162319729
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid
CID 122391746

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid?
The IUPAC name of 4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid (CID 159607739) is 4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid.
What is the SMILES notation for 4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid?
The canonical SMILES for 4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid is COc1ccccc1CC=Cc1ccc(O)cc1.O=C(O)C(=O)O.
What is the InChIKey of 4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid?
The InChIKey is MMHHMDBNIAZIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2.C2H2O4/c1-18-16-8-3-2-6-14(16)7-4-5-13-9-11-15(17)12-10-13;3-1(4)2(5)6/h2-6,8-12,17H,7H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid?
4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid has a molecular weight of 330.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid is sourced from PubChem (CID 159607739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).