methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate

C14H18O4 — CID 146506690

IUPACmethyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(O)c(OC)c2)CCCC1
InChIInChI=1S/C14H18O4/c1-17-12-9-10(5-6-11(12)15)14(13(16)18-2)7-3-4-8-14/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyYQRCJTUZWDCLQN-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.39
Rot. Bonds3

About methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate

methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate (PubChem CID 146506690) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate
PubChem CID146506690
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(O)c(OC)c2)CCCC1
InChIInChI=1S/C14H18O4/c1-17-12-9-10(5-6-11(12)15)14(13(16)18-2)7-3-4-8-14/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyYQRCJTUZWDCLQN-UHFFFAOYSA-N
XLogP2.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate (CID 146506690) is methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate is COC(=O)C1(c2ccc(O)c(OC)c2)CCCC1.
What is the InChIKey of methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate?
The InChIKey is YQRCJTUZWDCLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-17-12-9-10(5-6-11(12)15)14(13(16)18-2)7-3-4-8-14/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate?
methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate has a molecular weight of 250.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 146506690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).