cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol

C27H31NO — CID 135018318

IUPACcis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CC[C@@H](C(C)C)[C@](O)(c2ccccc2-c2cccc(-c3ccccc3)n2)C1
InChIInChI=1S/C27H31NO/c1-19(2)23-17-16-20(3)18-27(23,29)24-13-8-7-12-22(24)26-15-9-14-25(28-26)21-10-5-4-6-11-21/h4-15,19-20,23,29H,16-18H2,1-3H3/t20?,23-,27-/m0/s1
InChIKeyXTKWBFCHARVTAP-NBDQMKMOSA-N
MW385.55 g/mol
LogP6.70
Rot. Bonds4

About cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol

cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol (PubChem CID 135018318) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol
PubChem CID135018318
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Namecis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CC[C@@H](C(C)C)[C@](O)(c2ccccc2-c2cccc(-c3ccccc3)n2)C1
InChIInChI=1S/C27H31NO/c1-19(2)23-17-16-20(3)18-27(23,29)24-13-8-7-12-22(24)26-15-9-14-25(28-26)21-10-5-4-6-11-21/h4-15,19-20,23,29H,16-18H2,1-3H3/t20?,23-,27-/m0/s1
InChIKeyXTKWBFCHARVTAP-NBDQMKMOSA-N
XLogP6.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-hydroxy-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1-methyl-1H-pyrrole-2-carbonitrile
CID 16119240
2,6-Bis(3-hydroxyphenyl)-4-phenylpyridine
CID 46887181
3-(2,6-Diphenyl-4-pyridinyl)phenol
CID 46887217
3-[2,6-Bis(3-hydroxyphenyl)-4-pyridinyl]phenol
CID 118710766
2-[2-(3-Hydroxyphenyl)-6-phenyl-4-pyridinyl]phenol
CID 136126547
2-[6-(2-Hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol
CID 137100804
2-[2,6-Bis(3-hydroxyphenyl)-4-pyridinyl]phenol
CID 137100806
3-[6-(3-Hydroxyphenyl)-4-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137100807
2-[2-(2-Hydroxyphenyl)-6-(3-hydroxyphenyl)-4-pyridinyl]phenol
CID 137100810
3-(4,6-Diphenyl-2-pyridinyl)phenol
CID 46887130
3-[2-(3-Hydroxyphenyl)-6-phenyl-4-pyridinyl]phenol
CID 57382426
2-[6-(2-Hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol
CID 135981233

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol (CID 135018318) is cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol is CC1CC[C@@H](C(C)C)[C@](O)(c2ccccc2-c2cccc(-c3ccccc3)n2)C1.
What is the InChIKey of cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is XTKWBFCHARVTAP-NBDQMKMOSA-N. The full InChI is InChI=1S/C27H31NO/c1-19(2)23-17-16-20(3)18-27(23,29)24-13-8-7-12-22(24)26-15-9-14-25(28-26)21-10-5-4-6-11-21/h4-15,19-20,23,29H,16-18H2,1-3H3/t20?,23-,27-/m0/s1.
What are the key properties of cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol?
cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 385.55 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 135018318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).