(2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol

C22H26O5 — CID 59656257

IUPAC(2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol
SMILESCOc1cc([C@@H]2CC(O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC
InChIInChI=1S/C22H26O5/c1-24-19-10-14(11-20(25-2)22(19)26-3)18-12-17(23)16-9-8-13-6-4-5-7-15(13)21(16)27-18/h8-11,17-18,23H,4-7,12H2,1-3H3/t17?,18-/m0/s1
InChIKeyFHUYHNWRQBQCFJ-ZVAWYAOSSA-N
MW370.45 g/mol
LogP4.15
Rot. Bonds4

About (2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol

(2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol (PubChem CID 59656257) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol.

Molecular Properties

Compound Name(2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol
PubChem CID59656257
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name(2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol
SMILESCOc1cc([C@@H]2CC(O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC
InChIInChI=1S/C22H26O5/c1-24-19-10-14(11-20(25-2)22(19)26-3)18-12-17(23)16-9-8-13-6-4-5-7-15(13)21(16)27-18/h8-11,17-18,23H,4-7,12H2,1-3H3/t17?,18-/m0/s1
InChIKeyFHUYHNWRQBQCFJ-ZVAWYAOSSA-N
XLogP4.15
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol with MolForge

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Related Compounds

(2S,4R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-benzo[h]chromen-4-ol
CID 10384269
(3S)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[f]chromen-1-ol
CID 59656246
(2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol
CID 44567055
(4S)-7-bromo-2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949593
1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol
CID 23730575
6-methoxy-1,2,3,4-tetrahydrochrysene
CID 174384948
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
(1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol
CID 122393732
(2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol
CID 124677082
1-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentane-1-carboxylic acid
CID 117438536
4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene
CID 68828358

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol?
The IUPAC name of (2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol (CID 59656257) is (2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol.
What is the SMILES notation for (2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol?
The canonical SMILES for (2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol is COc1cc([C@@H]2CC(O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC.
What is the InChIKey of (2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol?
The InChIKey is FHUYHNWRQBQCFJ-ZVAWYAOSSA-N. The full InChI is InChI=1S/C22H26O5/c1-24-19-10-14(11-20(25-2)22(19)26-3)18-12-17(23)16-9-8-13-6-4-5-7-15(13)21(16)27-18/h8-11,17-18,23H,4-7,12H2,1-3H3/t17?,18-/m0/s1.
What are the key properties of (2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol?
(2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol has a molecular weight of 370.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4,5-trimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-ol is sourced from PubChem (CID 59656257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).