(1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol

C23H31FO — CID 153030842

IUPAC(1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol
SMILESCCCc1c(C(C)C)cc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1
InChIInChI=1S/C23H31FO/c1-7-8-19-20(14(2)3)13-21(15(4)5)22(16(6)25)23(19)17-9-11-18(24)12-10-17/h9-16,25H,7-8H2,1-6H3/t16-/m1/s1
InChIKeyVDTWKXAPIQBOMO-MRXNPFEDSA-N
MW342.50 g/mol
LogP6.75
Rot. Bonds6

About (1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol

(1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol (PubChem CID 153030842) has the molecular formula C23H31FO and a molecular weight of 342.50 g/mol. Its IUPAC name is (1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol
PubChem CID153030842
Molecular FormulaC23H31FO
Molecular Weight342.50 g/mol
Exact Mass342.24
IUPAC Name(1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol
SMILESCCCc1c(C(C)C)cc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1
InChIInChI=1S/C23H31FO/c1-7-8-19-20(14(2)3)13-21(15(4)5)22(16(6)25)23(19)17-9-11-18(24)12-10-17/h9-16,25H,7-8H2,1-6H3/t16-/m1/s1
InChIKeyVDTWKXAPIQBOMO-MRXNPFEDSA-N
XLogP6.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.50
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 325
[1,1'-Biphenyl]-3-methanol, 2-methyl-
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12-Methylbenz(a)anthracene-7-methanol
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2-Naphthalenemethanol
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3,4-Dimethylbenzyl alcohol
CID 23407
Bay 27-9955
CID 5311277
(1,1'-Biphenyl)-4-methanol
CID 19186
2,4-Dimethylbenzyl alcohol
CID 27809
alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
1-(1-Pyrenyl)ethanol
CID 119118
3-(5'-{2-[3,4-Bis(Hydroxymethyl)phenyl]ethyl}-2'-Methyl-2-Propylbiphenyl-4-Yl)pentan-3-Ol
CID 9847095

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol (CID 153030842) is (1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol is CCCc1c(C(C)C)cc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1.
What is the InChIKey of (1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol?
The InChIKey is VDTWKXAPIQBOMO-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H31FO/c1-7-8-19-20(14(2)3)13-21(15(4)5)22(16(6)25)23(19)17-9-11-18(24)12-10-17/h9-16,25H,7-8H2,1-6H3/t16-/m1/s1.
What are the key properties of (1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol?
(1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol has a molecular weight of 342.50 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol is sourced from PubChem (CID 153030842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).