2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol

C29H39FO — CID 71102900

IUPAC2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol
SMILESC[C@@H](CC1CCC(CCC2CCC(c3ccc(O)c(F)c3)CC2)CC1)c1ccccc1
InChIInChI=1S/C29H39FO/c1-21(25-5-3-2-4-6-25)19-24-11-9-22(10-12-24)7-8-23-13-15-26(16-14-23)27-17-18-29(31)28(30)20-27/h2-6,17-18,20-24,26,31H,7-16,19H2,1H3/t21-,22?,23?,24?,26?/m0/s1
InChIKeyDNGAZEDLTDNIEQ-WSHMSRCKSA-N
MW422.63 g/mol
LogP8.59
Rot. Bonds7

About 2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol

2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol (PubChem CID 71102900) has the molecular formula C29H39FO and a molecular weight of 422.63 g/mol. Its IUPAC name is 2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol
PubChem CID71102900
Molecular FormulaC29H39FO
Molecular Weight422.63 g/mol
Exact Mass422.30
IUPAC Name2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol
SMILESC[C@@H](CC1CCC(CCC2CCC(c3ccc(O)c(F)c3)CC2)CC1)c1ccccc1
InChIInChI=1S/C29H39FO/c1-21(25-5-3-2-4-6-25)19-24-11-9-22(10-12-24)7-8-23-13-15-26(16-14-23)27-17-18-29(31)28(30)20-27/h2-6,17-18,20-24,26,31H,7-16,19H2,1H3/t21-,22?,23?,24?,26?/m0/s1
InChIKeyDNGAZEDLTDNIEQ-WSHMSRCKSA-N
XLogP8.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.63
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol with MolForge

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Related Compounds

2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile
CID 58699021
2,6-difluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile
CID 58698419
2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 91059235
1,3-difluoro-2-pent-3-enyl-5-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 91318136
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
CID 21052652
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene
CID 21052589
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58698614
1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 163627062
(3,4,5-trifluorophenyl) 2-fluoro-4-[4-(2-phenylpropyl)cyclohexyl]benzoate
CID 21052887
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698353

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol?
The IUPAC name of 2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol (CID 71102900) is 2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol.
What is the SMILES notation for 2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol?
The canonical SMILES for 2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol is C[C@@H](CC1CCC(CCC2CCC(c3ccc(O)c(F)c3)CC2)CC1)c1ccccc1.
What is the InChIKey of 2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol?
The InChIKey is DNGAZEDLTDNIEQ-WSHMSRCKSA-N. The full InChI is InChI=1S/C29H39FO/c1-21(25-5-3-2-4-6-25)19-24-11-9-22(10-12-24)7-8-23-13-15-26(16-14-23)27-17-18-29(31)28(30)20-27/h2-6,17-18,20-24,26,31H,7-16,19H2,1H3/t21-,22?,23?,24?,26?/m0/s1.
What are the key properties of 2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol?
2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol has a molecular weight of 422.63 g/mol, XLogP of 8.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol is sourced from PubChem (CID 71102900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).