1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate

C20H24O4 — CID 175225136

IUPAC1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CO.COc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H14O.C6H10O3/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-3-6(8)9-5(2)4-7/h2-10H,11H2,1H3;3,5,7H,1,4H2,2H3
InChIKeyZSNQSNIQNVRCDO-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.38
Rot. Bonds6

About 1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate

1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate (PubChem CID 175225136) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate
PubChem CID175225136
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CO.COc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H14O.C6H10O3/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-3-6(8)9-5(2)4-7/h2-10H,11H2,1H3;3,5,7H,1,4H2,2H3
InChIKeyZSNQSNIQNVRCDO-UHFFFAOYSA-N
XLogP3.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 142355257
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
CID 86053966
[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
CID 89016777
methyl 2-(4-benzylphenoxy)but-3-enoate
CID 132597591
[3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate
CID 89279337
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
1-(benzylamino)ethyl prop-2-enoate;hydrobromide
CID 175525359
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate?
The IUPAC name of 1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate (CID 175225136) is 1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate.
What is the SMILES notation for 1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate?
The canonical SMILES for 1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate is C=CC(=O)OC(C)CO.COc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate?
The InChIKey is ZSNQSNIQNVRCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C6H10O3/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-3-6(8)9-5(2)4-7/h2-10H,11H2,1H3;3,5,7H,1,4H2,2H3.
What are the key properties of 1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate?
1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate has a molecular weight of 328.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate is sourced from PubChem (CID 175225136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).