(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol

C17H17ClF2O — CID 115838226

IUPAC(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1cccc(C(O)c2cc(F)c(Cl)cc2F)c1
InChIInChI=1S/C17H17ClF2O/c1-10(2)6-11-4-3-5-12(7-11)17(21)13-8-16(20)14(18)9-15(13)19/h3-5,7-10,17,21H,6H2,1-2H3
InChIKeyBTQBZHRWYKTDDF-UHFFFAOYSA-N
MW310.77 g/mol
LogP4.90
Rot. Bonds4

About (4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol

(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol (PubChem CID 115838226) has the molecular formula C17H17ClF2O and a molecular weight of 310.77 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol
PubChem CID115838226
Molecular FormulaC17H17ClF2O
Molecular Weight310.77 g/mol
Exact Mass310.09
IUPAC Name(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1cccc(C(O)c2cc(F)c(Cl)cc2F)c1
InChIInChI=1S/C17H17ClF2O/c1-10(2)6-11-4-3-5-12(7-11)17(21)13-8-16(20)14(18)9-15(13)19/h3-5,7-10,17,21H,6H2,1-2H3
InChIKeyBTQBZHRWYKTDDF-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050632
(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838197
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838225
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543738
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 82772510
1-(4-chloro-2,5-difluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018615
1-chloro-4-[1-chloro-2-(3-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82771839
(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol
CID 116542736
(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542679

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol (CID 115838226) is (4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol is CC(C)Cc1cccc(C(O)c2cc(F)c(Cl)cc2F)c1.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol?
The InChIKey is BTQBZHRWYKTDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2O/c1-10(2)6-11-4-3-5-12(7-11)17(21)13-8-16(20)14(18)9-15(13)19/h3-5,7-10,17,21H,6H2,1-2H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol?
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol has a molecular weight of 310.77 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 115838226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).