4-(2-fluoropropan-2-yl)-2-methoxyphenol

C10H13FO2 — CID 84659603

IUPAC4-(2-fluoropropan-2-yl)-2-methoxyphenol
SMILESCOc1cc(C(C)(C)F)ccc1O
InChIInChI=1S/C10H13FO2/c1-10(2,11)7-4-5-8(12)9(6-7)13-3/h4-6,12H,1-3H3
InChIKeyCSHJVBXXFAWHFL-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.61
Rot. Bonds2

About 4-(2-fluoropropan-2-yl)-2-methoxyphenol

4-(2-fluoropropan-2-yl)-2-methoxyphenol (PubChem CID 84659603) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-2-methoxyphenol
PubChem CID84659603
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name4-(2-fluoropropan-2-yl)-2-methoxyphenol
SMILESCOc1cc(C(C)(C)F)ccc1O
InChIInChI=1S/C10H13FO2/c1-10(2,11)7-4-5-8(12)9(6-7)13-3/h4-6,12H,1-3H3
InChIKeyCSHJVBXXFAWHFL-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol
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2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol
CID 58389383
4-[2-(ethylamino)propan-2-yl]-2-methoxyphenol
CID 163597748
2,2-bis(4-hydroxy-3-methoxyphenyl)-3-oxobutanal;hydron
CID 174695330
5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
CID 84711706
4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
CID 77128126
4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
CID 161393125
2-(ethylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
CID 60787205
2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60787348
2-methoxy-4-(2-methyl-1-piperazin-1-ylpropan-2-yl)phenol
CID 116987599
4-(fluoromethyl)-2-methoxyphenol
CID 84650348

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-2-methoxyphenol?
The IUPAC name of 4-(2-fluoropropan-2-yl)-2-methoxyphenol (CID 84659603) is 4-(2-fluoropropan-2-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-2-methoxyphenol?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-2-methoxyphenol is COc1cc(C(C)(C)F)ccc1O.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-2-methoxyphenol?
The InChIKey is CSHJVBXXFAWHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-10(2,11)7-4-5-8(12)9(6-7)13-3/h4-6,12H,1-3H3.
What are the key properties of 4-(2-fluoropropan-2-yl)-2-methoxyphenol?
4-(2-fluoropropan-2-yl)-2-methoxyphenol has a molecular weight of 184.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-2-methoxyphenol is sourced from PubChem (CID 84659603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).