(1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol

C14H20O3 — CID 79837954

IUPAC(1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol
SMILESCOc1cc(C)c2c(c1OC)[C@@H](O)CC2(C)C
InChIInChI=1S/C14H20O3/c1-8-6-10(16-4)13(17-5)11-9(15)7-14(2,3)12(8)11/h6,9,15H,7H2,1-5H3/t9-/m0/s1
InChIKeyLRHLLMPSVLQVCN-VIFPVBQESA-N
MW236.31 g/mol
LogP2.73
Rot. Bonds2

About (1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol

(1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol (PubChem CID 79837954) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol
PubChem CID79837954
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol
SMILESCOc1cc(C)c2c(c1OC)[C@@H](O)CC2(C)C
InChIInChI=1S/C14H20O3/c1-8-6-10(16-4)13(17-5)11-9(15)7-14(2,3)12(8)11/h6,9,15H,7H2,1-5H3/t9-/m0/s1
InChIKeyLRHLLMPSVLQVCN-VIFPVBQESA-N
XLogP2.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 105057506
(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837577
1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol
CID 79837865
4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine
CID 79838026
1,2,3-trimethoxy-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934715
3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82131838
7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417584
1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene
CID 62735651
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
(1R)-7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417582
1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 20758550
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165

Frequently Asked Questions

What is the IUPAC name of (1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol?
The IUPAC name of (1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol (CID 79837954) is (1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for (1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol?
The canonical SMILES for (1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol is COc1cc(C)c2c(c1OC)[C@@H](O)CC2(C)C.
What is the InChIKey of (1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol?
The InChIKey is LRHLLMPSVLQVCN-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20O3/c1-8-6-10(16-4)13(17-5)11-9(15)7-14(2,3)12(8)11/h6,9,15H,7H2,1-5H3/t9-/m0/s1.
What are the key properties of (1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol?
(1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 79837954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).