1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol

C18H21FO2 — CID 105377568

IUPAC1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol
SMILESCc1cccc(OCCC(O)Cc2cc(F)ccc2C)c1
InChIInChI=1S/C18H21FO2/c1-13-4-3-5-18(10-13)21-9-8-17(20)12-15-11-16(19)7-6-14(15)2/h3-7,10-11,17,20H,8-9,12H2,1-2H3
InChIKeyYQVOCVLOXLEEMO-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.82
Rot. Bonds6

About 1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol

1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol (PubChem CID 105377568) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol
PubChem CID105377568
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol
SMILESCc1cccc(OCCC(O)Cc2cc(F)ccc2C)c1
InChIInChI=1S/C18H21FO2/c1-13-4-3-5-18(10-13)21-9-8-17(20)12-15-11-16(19)7-6-14(15)2/h3-7,10-11,17,20H,8-9,12H2,1-2H3
InChIKeyYQVOCVLOXLEEMO-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol
CID 105127429
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105093291
1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105121745
1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine
CID 105373609
1-(3-methylphenoxy)hex-5-en-3-ol
CID 105081716
4-(3-methylphenoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 105107906
5-methyl-1-(3-methylphenoxy)octan-3-ol
CID 105089801
1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine
CID 114829611
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
1-(5-bromo-3-pyridinyl)-4-(3-methylphenoxy)butan-2-ol
CID 105126440
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol (CID 105377568) is 1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol is Cc1cccc(OCCC(O)Cc2cc(F)ccc2C)c1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol?
The InChIKey is YQVOCVLOXLEEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-13-4-3-5-18(10-13)21-9-8-17(20)12-15-11-16(19)7-6-14(15)2/h3-7,10-11,17,20H,8-9,12H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol?
1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol has a molecular weight of 288.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol is sourced from PubChem (CID 105377568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).