6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol

C10H15FO — CID 172586012

IUPAC6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol
SMILESCC1=C(F)C(O)=C(C(C)C)CC1
InChIInChI=1S/C10H15FO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,12H,4-5H2,1-3H3
InChIKeyYYTXEICMTPXOTR-UHFFFAOYSA-N
MW170.23 g/mol
LogP3.49
Rot. Bonds1

About 6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol

6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol (PubChem CID 172586012) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol
PubChem CID172586012
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol
SMILESCC1=C(F)C(O)=C(C(C)C)CC1
InChIInChI=1S/C10H15FO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,12H,4-5H2,1-3H3
InChIKeyYYTXEICMTPXOTR-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid
CID 24870714
1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene
CID 164990673
3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol
CID 54105253
2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 123153350
ethane;1-methyl-2-propan-2-ylcyclopentene
CID 145236747
ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene
CID 167536251
5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 172585884
3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 145369202
2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
CID 91747915
7-fluoro-8-methyl-1-propan-2-yl-2,3-dihydronaphthalene
CID 169127783
3,5-dimethylcyclopenta-2,5-diene-1,2-diol
CID 58446340
ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene
CID 176926600

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol (CID 172586012) is 6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol is CC1=C(F)C(O)=C(C(C)C)CC1.
What is the InChIKey of 6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol?
The InChIKey is YYTXEICMTPXOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,12H,4-5H2,1-3H3.
What are the key properties of 6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol?
6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol has a molecular weight of 170.23 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 172586012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).