(2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate

C18H18O3 — CID 78765613

IUPAC(2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate
SMILESCOc1ccccc1COC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H18O3/c1-20-16-10-6-5-7-14(16)13-21-17(19)18(11-12-18)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3
InChIKeyOCVPVLOSEKEZLR-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.47
Rot. Bonds5

About (2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate

(2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate (PubChem CID 78765613) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate
PubChem CID78765613
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate
SMILESCOc1ccccc1COC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H18O3/c1-20-16-10-6-5-7-14(16)13-21-17(19)18(11-12-18)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3
InChIKeyOCVPVLOSEKEZLR-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526911
(2-methoxyphenyl)methyl 2-[[1-[(2-methoxyphenyl)methoxy]-1-oxopropan-2-yl]disulfanyl]propanoate
CID 22418608
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 8611711
2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid
CID 95454152
(2-methoxyphenyl)methyl cyclopentanecarboxylate
CID 78760103
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060
1-[2-(fluoromethyl)-6-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117321562
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587986
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8642070

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of (2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate (CID 78765613) is (2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for (2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for (2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate is COc1ccccc1COC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of (2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate?
The InChIKey is OCVPVLOSEKEZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-16-10-6-5-7-14(16)13-21-17(19)18(11-12-18)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3.
What are the key properties of (2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate?
(2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 78765613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).