1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol

C15H21FO — CID 106663637

IUPAC1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol
SMILESCc1cc(C2(O)CC(C)(C)CC2C)ccc1F
InChIInChI=1S/C15H21FO/c1-10-7-12(5-6-13(10)16)15(17)9-14(3,4)8-11(15)2/h5-7,11,17H,8-9H2,1-4H3
InChIKeyLPERKPKPEIRAOE-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.78
Rot. Bonds1

About 1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol

1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol (PubChem CID 106663637) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol
PubChem CID106663637
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol
SMILESCc1cc(C2(O)CC(C)(C)CC2C)ccc1F
InChIInChI=1S/C15H21FO/c1-10-7-12(5-6-13(10)16)15(17)9-14(3,4)8-11(15)2/h5-7,11,17H,8-9H2,1-4H3
InChIKeyLPERKPKPEIRAOE-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol
CID 106663884
1-(4-fluoro-3-methylphenyl)-3-methylcyclobutan-1-ol
CID 103564406
1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663829
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
1-(3-bromo-2,6-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106941537
3-(4-fluoro-3-methylphenyl)-5,5-dimethylthian-3-ol
CID 79947637
3-(4-fluoro-3-methylphenyl)-2-methylthian-3-ol
CID 79952551
4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol
CID 18968520
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
1-(2,6-difluoro-3-methylphenyl)-2-methylcyclopropan-1-ol
CID 82815611
3-(4-fluoro-3-methylphenyl)oxetane-3-thiol
CID 116872842
(NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine
CID 145463470

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol (CID 106663637) is 1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol is Cc1cc(C2(O)CC(C)(C)CC2C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol?
The InChIKey is LPERKPKPEIRAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-10-7-12(5-6-13(10)16)15(17)9-14(3,4)8-11(15)2/h5-7,11,17H,8-9H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol?
1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol has a molecular weight of 236.33 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol is sourced from PubChem (CID 106663637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).