ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate

C20H18O3 — CID 135245038

IUPACethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate
SMILESCCOC(=O)C1=C2Cc3ccc(OCc4ccccc4)cc3C21
InChIInChI=1S/C20H18O3/c1-2-22-20(21)19-17-10-14-8-9-15(11-16(14)18(17)19)23-12-13-6-4-3-5-7-13/h3-9,11,18H,2,10,12H2,1H3
InChIKeyJRWZJUYDYKPEBV-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.78
Rot. Bonds5

About ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate

ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate (PubChem CID 135245038) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate
PubChem CID135245038
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Nameethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate
SMILESCCOC(=O)C1=C2Cc3ccc(OCc4ccccc4)cc3C21
InChIInChI=1S/C20H18O3/c1-2-22-20(21)19-17-10-14-8-9-15(11-16(14)18(17)19)23-12-13-6-4-3-5-7-13/h3-9,11,18H,2,10,12H2,1H3
InChIKeyJRWZJUYDYKPEBV-UHFFFAOYSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-methoxy-4-phenylmethoxybenzoate
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ethyl 4-(4-phenylmethoxybenzoyl)benzoate
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ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
ethyl 6-amino-5-cyano-2-methyl-4-(2-methyl-4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate
CID 169390505
ethyl acetate;ethyl 4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 90757798
(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid
CID 68909509
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
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CID 137332806

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate?
The IUPAC name of ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate (CID 135245038) is ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate.
What is the SMILES notation for ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate?
The canonical SMILES for ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate is CCOC(=O)C1=C2Cc3ccc(OCc4ccccc4)cc3C21.
What is the InChIKey of ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate?
The InChIKey is JRWZJUYDYKPEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-2-22-20(21)19-17-10-14-8-9-15(11-16(14)18(17)19)23-12-13-6-4-3-5-7-13/h3-9,11,18H,2,10,12H2,1H3.
What are the key properties of ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate?
ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate is sourced from PubChem (CID 135245038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).