[4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol

C26H27NO2 — CID 58095659

IUPAC[4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol
SMILESOCc1ccc([C@]2(c3ccc(OCc4ccccn4)cc3)CC3CCC2C3)cc1
InChIInChI=1S/C26H27NO2/c28-17-19-4-7-21(8-5-19)26(16-20-6-9-23(26)15-20)22-10-12-25(13-11-22)29-18-24-3-1-2-14-27-24/h1-5,7-8,10-14,20,23,28H,6,9,15-18H2/t20?,23?,26-/m0/s1
InChIKeyXMAYHDSPWKHDLF-CQEMHVLCSA-N
MW385.51 g/mol
LogP5.26
Rot. Bonds6

About [4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol

[4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol (PubChem CID 58095659) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol
PubChem CID58095659
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name[4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol
SMILESOCc1ccc([C@]2(c3ccc(OCc4ccccn4)cc3)CC3CCC2C3)cc1
InChIInChI=1S/C26H27NO2/c28-17-19-4-7-21(8-5-19)26(16-20-6-9-23(26)15-20)22-10-12-25(13-11-22)29-18-24-3-1-2-14-27-24/h1-5,7-8,10-14,20,23,28H,6,9,15-18H2/t20?,23?,26-/m0/s1
InChIKeyXMAYHDSPWKHDLF-CQEMHVLCSA-N
XLogP5.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(2S)-2-[4-(1-methoxyethenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine
CID 58095703
5-[4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,3,4-oxadiazol-2-amine
CID 58095640
azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine
CID 172692287
[[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzoyl]amino]thiourea
CID 86649617
N-[(1-hydroxycyclopropyl)methyl]-4-[(1S,2R,4R)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 66864463
3-(dimethylamino)-1-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]prop-2-en-1-one
CID 66863751
3-(dimethylamino)-1-[4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]prop-2-en-1-one
CID 123800423
methyl (2R)-3-hydroxy-2-[[4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzoyl]amino]propanoate
CID 58095655
N-pyridin-3-yl-4-[(1S,2S,4R)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 66864244
N-(1-methylpiperidin-4-yl)-4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 58095607
N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 66863811
5-(difluoromethyl)-3-[4-[(1S,2S,4R)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,2,4-oxadiazole
CID 66863705

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol?
The IUPAC name of [4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol (CID 58095659) is [4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol.
What is the SMILES notation for [4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol?
The canonical SMILES for [4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol is OCc1ccc([C@]2(c3ccc(OCc4ccccn4)cc3)CC3CCC2C3)cc1.
What is the InChIKey of [4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol?
The InChIKey is XMAYHDSPWKHDLF-CQEMHVLCSA-N. The full InChI is InChI=1S/C26H27NO2/c28-17-19-4-7-21(8-5-19)26(16-20-6-9-23(26)15-20)22-10-12-25(13-11-22)29-18-24-3-1-2-14-27-24/h1-5,7-8,10-14,20,23,28H,6,9,15-18H2/t20?,23?,26-/m0/s1.
What are the key properties of [4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol?
[4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol has a molecular weight of 385.51 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol is sourced from PubChem (CID 58095659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).