(6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene

C17H22O2 — CID 122380336

IUPAC(6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene
SMILESCOc1cccc2c1[C@H]1CC(C)=CC[C@@H]1C(C)(C)O2
InChIInChI=1S/C17H22O2/c1-11-8-9-13-12(10-11)16-14(18-4)6-5-7-15(16)19-17(13,2)3/h5-8,12-13H,9-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyZVQCPDHXDXFCGI-STQMWFEESA-N
MW258.36 g/mol
LogP4.31
Rot. Bonds1

About (6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene

(6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene (PubChem CID 122380336) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene.

Molecular Properties

Compound Name(6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene
PubChem CID122380336
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene
SMILESCOc1cccc2c1[C@H]1CC(C)=CC[C@@H]1C(C)(C)O2
InChIInChI=1S/C17H22O2/c1-11-8-9-13-12(10-11)16-14(18-4)6-5-7-15(16)19-17(13,2)3/h5-8,12-13H,9-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyZVQCPDHXDXFCGI-STQMWFEESA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6aR,10aR)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol
CID 11218778
(6aR,10aR)-3-(6-azidohex-2-ynyl)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene
CID 102024082
2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 46844981
3-(dimethylamino)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
CID 609439
5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol
CID 82187518
4-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]butan-1-amine
CID 15114758
(6aR,10aR)-3-[2-(4-chlorophenyl)propan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
CID 24863255
methyl 7-[(6aR)-1-(2,2-dimethylpropanoyloxy)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]-7-methyloctanoate
CID 153371167
(6aR,10aR)-1-methoxy-6,6-dimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carbonitrile
CID 153371300
[(6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl] diethyl phosphate
CID 10720372
[7-[1-(2,2-dimethylpropanoyloxy)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]-7-methyloctyl] 2,2-dimethylpropanoate
CID 153371158
(6aR,10aR)-2-ethyl-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
CID 101105251

Frequently Asked Questions

What is the IUPAC name of (6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene?
The IUPAC name of (6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene (CID 122380336) is (6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene.
What is the SMILES notation for (6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene?
The canonical SMILES for (6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene is COc1cccc2c1[C@H]1CC(C)=CC[C@@H]1C(C)(C)O2.
What is the InChIKey of (6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene?
The InChIKey is ZVQCPDHXDXFCGI-STQMWFEESA-N. The full InChI is InChI=1S/C17H22O2/c1-11-8-9-13-12(10-11)16-14(18-4)6-5-7-15(16)19-17(13,2)3/h5-8,12-13H,9-10H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene?
(6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene has a molecular weight of 258.36 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene is sourced from PubChem (CID 122380336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).