2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol

C25H25NO3 — CID 156714501

IUPAC2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol
SMILESOC1C(OCc2ccccc2)CCCC1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H25NO3/c27-25-21(13-8-16-24(25)28-17-18-9-2-1-3-10-18)26-19-11-4-6-14-22(19)29-23-15-7-5-12-20(23)26/h1-7,9-12,14-15,21,24-25,27H,8,13,16-17H2
InChIKeyOCRXNRZZTRNNDV-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.43
Rot. Bonds4

About 2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol

2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol (PubChem CID 156714501) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol.

Molecular Properties

Compound Name2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol
PubChem CID156714501
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol
SMILESOC1C(OCc2ccccc2)CCCC1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H25NO3/c27-25-21(13-8-16-24(25)28-17-18-9-2-1-3-10-18)26-19-11-4-6-14-22(19)29-23-15-7-5-12-20(23)26/h1-7,9-12,14-15,21,24-25,27H,8,13,16-17H2
InChIKeyOCRXNRZZTRNNDV-UHFFFAOYSA-N
XLogP5.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol
CID 15936956
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione
CID 68810098
(3S)-3-phenylmethoxyoxan-2-ol
CID 10608436
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine
CID 4961387
(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
CID 10616882
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131

Frequently Asked Questions

What is the IUPAC name of 2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol?
The IUPAC name of 2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol (CID 156714501) is 2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol.
What is the SMILES notation for 2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol?
The canonical SMILES for 2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol is OC1C(OCc2ccccc2)CCCC1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol?
The InChIKey is OCRXNRZZTRNNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c27-25-21(13-8-16-24(25)28-17-18-9-2-1-3-10-18)26-19-11-4-6-14-22(19)29-23-15-7-5-12-20(23)26/h1-7,9-12,14-15,21,24-25,27H,8,13,16-17H2.
What are the key properties of 2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol?
2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol has a molecular weight of 387.48 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol is sourced from PubChem (CID 156714501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).