ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol

C20H27FO2 — CID 143789047

IUPACethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol
SMILESCC.CCc1ccc(-c2cc(OC)ccc2F)c(C(O)CC)c1
InChIInChI=1S/C18H21FO2.C2H6/c1-4-12-6-8-14(16(10-12)18(20)5-2)15-11-13(21-3)7-9-17(15)19;1-2/h6-11,18,20H,4-5H2,1-3H3;1-2H3
InChIKeyBEZNZQDUWQJNTI-UHFFFAOYSA-N
MW318.43 g/mol
LogP5.53
Rot. Bonds5

About ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol

ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol (PubChem CID 143789047) has the molecular formula C20H27FO2 and a molecular weight of 318.43 g/mol. Its IUPAC name is ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol.

Molecular Properties

Compound Nameethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol
PubChem CID143789047
Molecular FormulaC20H27FO2
Molecular Weight318.43 g/mol
Exact Mass318.20
IUPAC Nameethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol
SMILESCC.CCc1ccc(-c2cc(OC)ccc2F)c(C(O)CC)c1
InChIInChI=1S/C18H21FO2.C2H6/c1-4-12-6-8-14(16(10-12)18(20)5-2)15-11-13(21-3)7-9-17(15)19;1-2/h6-11,18,20H,4-5H2,1-3H3;1-2H3
InChIKeyBEZNZQDUWQJNTI-UHFFFAOYSA-N
XLogP5.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.43
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]-(1-methylcyclopropyl)methanol
CID 143788779
ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]-2,2-dimethylpropan-1-one
CID 143789443
(2,5-diethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 102884367
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
5-ethyl-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 19101283
2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid
CID 57467590
CID 161421719
CID 161421719
[3-[cyclopropyl(dimethylamino)methyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methyl 3-[cyclopropyl(dimethylamino)methyl]-4-(2-fluoro-5-methoxyphenyl)benzoate
CID 158661002
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
CID 81304350
(3R)-3-[3-[[3-(1-fluoro-2,2-dimethylpropyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]-3-hydroxypropanoic acid
CID 149255052
2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol
CID 131736006

Frequently Asked Questions

What is the IUPAC name of ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol?
The IUPAC name of ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol (CID 143789047) is ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol.
What is the SMILES notation for ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol?
The canonical SMILES for ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol is CC.CCc1ccc(-c2cc(OC)ccc2F)c(C(O)CC)c1.
What is the InChIKey of ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol?
The InChIKey is BEZNZQDUWQJNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2.C2H6/c1-4-12-6-8-14(16(10-12)18(20)5-2)15-11-13(21-3)7-9-17(15)19;1-2/h6-11,18,20H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol?
ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol has a molecular weight of 318.43 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]propan-1-ol is sourced from PubChem (CID 143789047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).