ethane;[3-(2-fluoroethoxy)phenyl]methanol

C11H17FO2 — CID 144572015

IUPACethane;[3-(2-fluoroethoxy)phenyl]methanol
SMILESCC.OCc1cccc(OCCF)c1
InChIInChI=1S/C9H11FO2.C2H6/c10-4-5-12-9-3-1-2-8(6-9)7-11;1-2/h1-3,6,11H,4-5,7H2;1-2H3
InChIKeyNOBIUOKQGDARLO-UHFFFAOYSA-N
MW200.25 g/mol
LogP2.55
Rot. Bonds4

About ethane;[3-(2-fluoroethoxy)phenyl]methanol

ethane;[3-(2-fluoroethoxy)phenyl]methanol (PubChem CID 144572015) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is ethane;[3-(2-fluoroethoxy)phenyl]methanol.

Molecular Properties

Compound Nameethane;[3-(2-fluoroethoxy)phenyl]methanol
PubChem CID144572015
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Nameethane;[3-(2-fluoroethoxy)phenyl]methanol
SMILESCC.OCc1cccc(OCCF)c1
InChIInChI=1S/C9H11FO2.C2H6/c10-4-5-12-9-3-1-2-8(6-9)7-11;1-2/h1-3,6,11H,4-5,7H2;1-2H3
InChIKeyNOBIUOKQGDARLO-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(fluoromethoxy)phenyl]methanol
CID 130445893
[3-(3-chloropropoxy)phenyl]methanol
CID 15724711
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
4-[3-(hydroxymethyl)phenoxy]butanamide
CID 123197567
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-(2-butoxyethoxy)phenyl]methanol
CID 61483192
(3-methoxyphenyl)(113C)methanol
CID 11593446
2-[3-(hydroxymethyl)phenoxy]ethyl carbamate
CID 175060883
[3-(2-azidoethoxy)phenyl]methanol
CID 59552460
[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 177328592
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate
CID 66337477

Frequently Asked Questions

What is the IUPAC name of ethane;[3-(2-fluoroethoxy)phenyl]methanol?
The IUPAC name of ethane;[3-(2-fluoroethoxy)phenyl]methanol (CID 144572015) is ethane;[3-(2-fluoroethoxy)phenyl]methanol.
What is the SMILES notation for ethane;[3-(2-fluoroethoxy)phenyl]methanol?
The canonical SMILES for ethane;[3-(2-fluoroethoxy)phenyl]methanol is CC.OCc1cccc(OCCF)c1.
What is the InChIKey of ethane;[3-(2-fluoroethoxy)phenyl]methanol?
The InChIKey is NOBIUOKQGDARLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2.C2H6/c10-4-5-12-9-3-1-2-8(6-9)7-11;1-2/h1-3,6,11H,4-5,7H2;1-2H3.
What are the key properties of ethane;[3-(2-fluoroethoxy)phenyl]methanol?
ethane;[3-(2-fluoroethoxy)phenyl]methanol has a molecular weight of 200.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-(2-fluoroethoxy)phenyl]methanol is sourced from PubChem (CID 144572015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).