(1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol

C17H26O3 — CID 115417778

IUPAC(1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCOc1cc2c(cc1OCCC)[C@@H](O)CCC2C
InChIInChI=1S/C17H26O3/c1-4-8-19-16-10-13-12(3)6-7-15(18)14(13)11-17(16)20-9-5-2/h10-12,15,18H,4-9H2,1-3H3/t12?,15-/m0/s1
InChIKeyLOMRZWRQWACQNL-CVRLYYSRSA-N
MW278.39 g/mol
LogP4.19
Rot. Bonds6

About (1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115417778) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115417778
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCOc1cc2c(cc1OCCC)[C@@H](O)CCC2C
InChIInChI=1S/C17H26O3/c1-4-8-19-16-10-13-12(3)6-7-15(18)14(13)11-17(16)20-9-5-2/h10-12,15,18H,4-9H2,1-3H3/t12?,15-/m0/s1
InChIKeyLOMRZWRQWACQNL-CVRLYYSRSA-N
XLogP4.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 113305848
(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115483246
7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62943696
1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene
CID 113305881
3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol
CID 63820639
6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417576
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
5-chloro-7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63513543
(1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 113305867
2,3,6,7-tetrapropoxyanthracene
CID 102343273
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163922079
7-propoxy-2,3-dihydro-1H-inden-1-ol
CID 126991757

Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115417778) is (1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol is CCCOc1cc2c(cc1OCCC)[C@@H](O)CCC2C.
What is the InChIKey of (1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is LOMRZWRQWACQNL-CVRLYYSRSA-N. The full InChI is InChI=1S/C17H26O3/c1-4-8-19-16-10-13-12(3)6-7-15(18)14(13)11-17(16)20-9-5-2/h10-12,15,18H,4-9H2,1-3H3/t12?,15-/m0/s1.
What are the key properties of (1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 278.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115417778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).