8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol

C15H20O3 — CID 139840836

IUPAC8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol
SMILESCOc1cccc2c1CC1(C)CCCCC1(O)O2
InChIInChI=1S/C15H20O3/c1-14-8-3-4-9-15(14,16)18-13-7-5-6-12(17-2)11(13)10-14/h5-7,16H,3-4,8-10H2,1-2H3
InChIKeyNNDZNRSPGYZKQU-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.90
Rot. Bonds1

About 8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol

8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol (PubChem CID 139840836) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol.

Molecular Properties

Compound Name8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol
PubChem CID139840836
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol
SMILESCOc1cccc2c1CC1(C)CCCCC1(O)O2
InChIInChI=1S/C15H20O3/c1-14-8-3-4-9-15(14,16)18-13-7-5-6-12(17-2)11(13)10-14/h5-7,16H,3-4,8-10H2,1-2H3
InChIKeyNNDZNRSPGYZKQU-UHFFFAOYSA-N
XLogP2.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
CID 10798912
(5-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine
CID 84722413
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
5-methoxy-2,2-dimethyl-3H-chromen-4-one
CID 11790374
4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane]
CID 90137521
1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol
CID 117104185
5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 19028933
5-methoxy-2'-methylidenespiro[4H-isochromene-3,1'-cyclohexane]-1-one
CID 102417201
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol
CID 82806761
4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine
CID 10542565
(3R)-3-(2-methoxyphenyl)-2H-1-benzofuran-3-ol
CID 154718242

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol?
The IUPAC name of 8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol (CID 139840836) is 8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol.
What is the SMILES notation for 8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol?
The canonical SMILES for 8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol is COc1cccc2c1CC1(C)CCCCC1(O)O2.
What is the InChIKey of 8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol?
The InChIKey is NNDZNRSPGYZKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14-8-3-4-9-15(14,16)18-13-7-5-6-12(17-2)11(13)10-14/h5-7,16H,3-4,8-10H2,1-2H3.
What are the key properties of 8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol?
8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol has a molecular weight of 248.32 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol is sourced from PubChem (CID 139840836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).