2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol

C18H26O3 — CID 70070788

IUPAC2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol
SMILESCOc1ccc(C2CC2C(C)(C)O)cc1OC1CCCC1
InChIInChI=1S/C18H26O3/c1-18(2,19)15-11-14(15)12-8-9-16(20-3)17(10-12)21-13-6-4-5-7-13/h8-10,13-15,19H,4-7,11H2,1-3H3
InChIKeyBTLRCRXXIBAAGD-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.89
Rot. Bonds5

About 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol

2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol (PubChem CID 70070788) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol
PubChem CID70070788
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol
SMILESCOc1ccc(C2CC2C(C)(C)O)cc1OC1CCCC1
InChIInChI=1S/C18H26O3/c1-18(2,19)15-11-14(15)12-8-9-16(20-3)17(10-12)21-13-6-4-5-7-13/h8-10,13-15,19H,4-7,11H2,1-3H3
InChIKeyBTLRCRXXIBAAGD-UHFFFAOYSA-N
XLogP3.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
CID 70068192
(3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine
CID 150912606
methyl (3R,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 54485183
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 54097599
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 11726110
methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 58598219
4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
CID 71601856
tert-butyl N-methylcarbamate;methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine-1-carboxylate
CID 142074579

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol?
The IUPAC name of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol (CID 70070788) is 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol.
What is the SMILES notation for 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol?
The canonical SMILES for 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol is COc1ccc(C2CC2C(C)(C)O)cc1OC1CCCC1.
What is the InChIKey of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol?
The InChIKey is BTLRCRXXIBAAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-18(2,19)15-11-14(15)12-8-9-16(20-3)17(10-12)21-13-6-4-5-7-13/h8-10,13-15,19H,4-7,11H2,1-3H3.
What are the key properties of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol?
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol has a molecular weight of 290.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol is sourced from PubChem (CID 70070788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).