2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol

C14H18O2 — CID 171758966

IUPAC2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol
SMILESCOc1ccc(C23CC(CCO)(C2)C3)cc1
InChIInChI=1S/C14H18O2/c1-16-12-4-2-11(3-5-12)14-8-13(9-14,10-14)6-7-15/h2-5,15H,6-10H2,1H3
InChIKeyFUIUCQRYSADHKA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.50
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol

2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol (PubChem CID 171758966) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol
PubChem CID171758966
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol
SMILESCOc1ccc(C23CC(CCO)(C2)C3)cc1
InChIInChI=1S/C14H18O2/c1-16-12-4-2-11(3-5-12)14-8-13(9-14,10-14)6-7-15/h2-5,15H,6-10H2,1H3
InChIKeyFUIUCQRYSADHKA-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 146623806
2-[4-[3-[4-(2-hydroxyethoxy)phenyl]-5,7-dimethyl-1-adamantyl]phenoxy]ethanol
CID 66661353
2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol
CID 71410226
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CID 90294446
[2-(4-methoxyphenyl)oxetan-2-yl]methanol
CID 117258820
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005732
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967
3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol
CID 86103756
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol (CID 171758966) is 2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol is COc1ccc(C23CC(CCO)(C2)C3)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol?
The InChIKey is FUIUCQRYSADHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-12-4-2-11(3-5-12)14-8-13(9-14,10-14)6-7-15/h2-5,15H,6-10H2,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol?
2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol has a molecular weight of 218.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol is sourced from PubChem (CID 171758966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).