3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol

C15H22O2 — CID 79616532

IUPAC3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
SMILESCOC(C)C(O)CC1CCCc2ccccc21
InChIInChI=1S/C15H22O2/c1-11(17-2)15(16)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-4,6,9,11,13,15-16H,5,7-8,10H2,1-2H3
InChIKeyIECZXZBKFHPAMQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.89
Rot. Bonds4

About 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol

3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol (PubChem CID 79616532) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
PubChem CID79616532
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
SMILESCOC(C)C(O)CC1CCCc2ccccc21
InChIInChI=1S/C15H22O2/c1-11(17-2)15(16)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-4,6,9,11,13,15-16H,5,7-8,10H2,1-2H3
InChIKeyIECZXZBKFHPAMQ-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63902024
1,1-diethoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 79495849
1-cyclopropyl-1-ethoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 116712738
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-cyclopropyl-1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 116722025
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435
1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 65130800
1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-ol
CID 63902035
1-cyclopropyl-1-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 116722314
1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 63772832
1-(2-methylcyclopentyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 107192023
3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 116713603

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol?
The IUPAC name of 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol (CID 79616532) is 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol.
What is the SMILES notation for 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol?
The canonical SMILES for 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol is COC(C)C(O)CC1CCCc2ccccc21.
What is the InChIKey of 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol?
The InChIKey is IECZXZBKFHPAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(17-2)15(16)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-4,6,9,11,13,15-16H,5,7-8,10H2,1-2H3.
What are the key properties of 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol?
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol is sourced from PubChem (CID 79616532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).