ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate

C21H24O4 — CID 90905721

IUPACethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OC(C)C)cc1OCc1ccccc1
InChIInChI=1S/C21H24O4/c1-4-23-21(22)13-11-18-10-12-19(25-16(2)3)14-20(18)24-15-17-8-6-5-7-9-17/h5-14,16H,4,15H2,1-3H3
InChIKeyAHQQURYTISCROX-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.63
Rot. Bonds8

About ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate

ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate (PubChem CID 90905721) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate
PubChem CID90905721
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Nameethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OC(C)C)cc1OCc1ccccc1
InChIInChI=1S/C21H24O4/c1-4-23-21(22)13-11-18-10-12-19(25-16(2)3)14-20(18)24-15-17-8-6-5-7-9-17/h5-14,16H,4,15H2,1-3H3
InChIKeyAHQQURYTISCROX-UHFFFAOYSA-N
XLogP4.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(2-phenylmethoxy-4-propoxyphenyl)prop-2-enoate
CID 86618807
ethyl (E)-3-[2-[(dimethylamino)methyl]-4-phenylmethoxyphenyl]prop-2-enoate
CID 58566589
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
3-[2,4-bis(phenylmethoxy)phenyl]-1-(2,4-diethoxyphenyl)prop-2-en-1-one
CID 139826532
1,3-bis(2-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826690
1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone
CID 22446096
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048
ethyl (E)-3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]prop-2-enoate
CID 88581651
3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 68550256
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
1-(2-ethoxy-4-phenylmethoxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826595
3-(4-ethoxy-2-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826426

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate (CID 90905721) is ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate is CCOC(=O)C=Cc1ccc(OC(C)C)cc1OCc1ccccc1.
What is the InChIKey of ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate?
The InChIKey is AHQQURYTISCROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-4-23-21(22)13-11-18-10-12-19(25-16(2)3)14-20(18)24-15-17-8-6-5-7-9-17/h5-14,16H,4,15H2,1-3H3.
What are the key properties of ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate?
ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate has a molecular weight of 340.42 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate is sourced from PubChem (CID 90905721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).