(1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine

C19H17NO2 — CID 98199618

IUPAC(1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESC[C@H]1Oc2ccc3ccccc3c2[C@H](c2ccccc2)N1O
InChIInChI=1S/C19H17NO2/c1-13-20(21)19(15-8-3-2-4-9-15)18-16-10-6-5-7-14(16)11-12-17(18)22-13/h2-13,19,21H,1H3/t13-,19+/m1/s1
InChIKeyLQDYHBWUVKYLNO-YJYMSZOUSA-N
MW291.35 g/mol
LogP4.36
Rot. Bonds1

About (1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine

(1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine (PubChem CID 98199618) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine.

Molecular Properties

Compound Name(1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
PubChem CID98199618
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESC[C@H]1Oc2ccc3ccccc3c2[C@H](c2ccccc2)N1O
InChIInChI=1S/C19H17NO2/c1-13-20(21)19(15-8-3-2-4-9-15)18-16-10-6-5-7-14(16)11-12-17(18)22-13/h2-13,19,21H,1H3/t13-,19+/m1/s1
InChIKeyLQDYHBWUVKYLNO-YJYMSZOUSA-N
XLogP4.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3S)-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine-2-carbaldehyde
CID 101494058
2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
CID 10895221
(2R,14S)-2-phenyl-13-oxa-1-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4,6,8,10,15,17,19-octaene
CID 162398766
(12R,16R,18S)-16-ethenyl-18-phenyl-11-oxa-17-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8-pentaene
CID 46196603
(12R,15R,17S)-17-phenyl-15-prop-1-ynyl-11-oxa-16-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8-pentaene
CID 53244138
1-phenyl-2,3-dihydro-1H-benzo[f]chromen-3-ol
CID 14316337
1-phenyl-2-[(1R)-1-phenylethyl]-1H-benzo[f][1,3]benzoxazin-3-one
CID 101367290
(12R,16R,18S)-16-but-3-enyl-18-phenyl-11-oxa-17-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8-pentaene
CID 46198137
3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene
CID 3717788
(1R)-N,N-diethyl-1-phenyl-2-[(1R)-1-phenylethyl]-1H-benzo[f][1,3,2]benzoxazaphosphinin-3-amine
CID 177388305
(1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium]
CID 164677123
(2S,10S)-10-phenyl-9,13-dioxa-11-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),3,5,7,15,17,19,21-octaen-12-one
CID 101424252

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine?
The IUPAC name of (1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine (CID 98199618) is (1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine.
What is the SMILES notation for (1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine?
The canonical SMILES for (1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine is C[C@H]1Oc2ccc3ccccc3c2[C@H](c2ccccc2)N1O.
What is the InChIKey of (1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine?
The InChIKey is LQDYHBWUVKYLNO-YJYMSZOUSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13-20(21)19(15-8-3-2-4-9-15)18-16-10-6-5-7-14(16)11-12-17(18)22-13/h2-13,19,21H,1H3/t13-,19+/m1/s1.
What are the key properties of (1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine?
(1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine has a molecular weight of 291.35 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine is sourced from PubChem (CID 98199618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).