cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate

C19H24O4 — CID 147114747

IUPACcyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate
SMILESCOc1ccc(C2CC2C(=O)OCC2CC2)cc1OCC1CC1
InChIInChI=1S/C19H24O4/c1-21-17-7-6-14(8-18(17)22-10-12-2-3-12)15-9-16(15)19(20)23-11-13-4-5-13/h6-8,12-13,15-16H,2-5,9-11H2,1H3
InChIKeyBNETVPCXYPZHQU-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.54
Rot. Bonds8

About cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate

cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate (PubChem CID 147114747) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate
PubChem CID147114747
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Namecyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate
SMILESCOc1ccc(C2CC2C(=O)OCC2CC2)cc1OCC1CC1
InChIInChI=1S/C19H24O4/c1-21-17-7-6-14(8-18(17)22-10-12-2-3-12)15-9-16(15)19(20)23-11-13-4-5-13/h6-8,12-13,15-16H,2-5,9-11H2,1H3
InChIKeyBNETVPCXYPZHQU-UHFFFAOYSA-N
XLogP3.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxylic acid
CID 117470579
[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
CID 20530766
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-hydroxycyclohexane-1-carbaldehyde
CID 139791381
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine
CID 117343498
2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459
trans-ethyl (1S,2S)-2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate
CID 131734383
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
2-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-methoxycyclohexane-1-carboxylic acid
CID 19038585
(2R)-2-amino-1-[(3S,4S)-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-[(1R)-1-hydroxyethyl]-3-methylpyrrolidin-1-yl]propan-1-one
CID 11740269
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117465686

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate?
The IUPAC name of cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate (CID 147114747) is cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate?
The canonical SMILES for cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate is COc1ccc(C2CC2C(=O)OCC2CC2)cc1OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate?
The InChIKey is BNETVPCXYPZHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-21-17-7-6-14(8-18(17)22-10-12-2-3-12)15-9-16(15)19(20)23-11-13-4-5-13/h6-8,12-13,15-16H,2-5,9-11H2,1H3.
What are the key properties of cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate?
cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 147114747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).