methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate

C19H22O3 — CID 14742785

IUPACmethyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate
SMILESCCCCc1c(/C=C/C(=O)OC)ccc2ccc(OC)cc12
InChIInChI=1S/C19H22O3/c1-4-5-6-17-14(10-12-19(20)22-3)7-8-15-9-11-16(21-2)13-18(15)17/h7-13H,4-6H2,1-3H3/b12-10+
InChIKeyOPPXEFPAHSSRQT-ZRDIBKRKSA-N
MW298.38 g/mol
LogP4.38
Rot. Bonds6

About methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate

methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate (PubChem CID 14742785) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate
PubChem CID14742785
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Namemethyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate
SMILESCCCCc1c(/C=C/C(=O)OC)ccc2ccc(OC)cc12
InChIInChI=1S/C19H22O3/c1-4-5-6-17-14(10-12-19(20)22-3)7-8-15-9-11-16(21-2)13-18(15)17/h7-13H,4-6H2,1-3H3/b12-10+
InChIKeyOPPXEFPAHSSRQT-ZRDIBKRKSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E)-3-(1-butyl-7-methoxynaphthalen-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

methyl (E)-3-(5-methoxy-2-methylphenyl)prop-2-enoate
CID 13415110
butyl 3-(2-acetamido-4-methoxyphenyl)prop-2-enoate
CID 76742238
butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471
butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 70069057
methyl 3-[2,5-didodecyl-4-(3-methoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 67120808
ethyl (E)-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
CID 86584745
ethyl (E)-3-(4-methoxy-2-sulfanylphenyl)prop-2-enoate
CID 12955068
methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate
CID 140551592
ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate
CID 169481027
methyl (E)-3-[2-[(E)-hex-1-enyl]-4-methylphenyl]prop-2-enoate
CID 135041775
methyl (E)-3-[2-(diethylcarbamoyloxy)-5-methoxyphenyl]prop-2-enoate
CID 71604823
ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate
CID 82580013

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate (CID 14742785) is methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate is CCCCc1c(/C=C/C(=O)OC)ccc2ccc(OC)cc12.
What is the InChIKey of methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate?
The InChIKey is OPPXEFPAHSSRQT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H22O3/c1-4-5-6-17-14(10-12-19(20)22-3)7-8-15-9-11-16(21-2)13-18(15)17/h7-13H,4-6H2,1-3H3/b12-10+.
What are the key properties of methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate?
methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate has a molecular weight of 298.38 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(1-butyl-7-methoxynaphthalen-2-yl)prop-2-enoate is sourced from PubChem (CID 14742785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).