(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol

C14H20O — CID 79014495

IUPAC(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCCc1ccc2c(c1)[C@@H](O)CCC2
InChIInChI=1S/C14H20O/c1-2-3-5-11-8-9-12-6-4-7-14(15)13(12)10-11/h8-10,14-15H,2-7H2,1H3/t14-/m0/s1
InChIKeyWIYJACQAXLKEJQ-AWEZNQCLSA-N
MW204.31 g/mol
LogP3.40
Rot. Bonds3

About (1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 79014495) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID79014495
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCCc1ccc2c(c1)[C@@H](O)CCC2
InChIInChI=1S/C14H20O/c1-2-3-5-11-8-9-12-6-4-7-14(15)13(12)10-11/h8-10,14-15H,2-7H2,1H3/t14-/m0/s1
InChIKeyWIYJACQAXLKEJQ-AWEZNQCLSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62736189
7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 63514769
6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol
CID 160826780
(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014448
1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea
CID 67628500
1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 63464654
1-(4-butylphenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 63464655
N-ethyl-7-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737677
7-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 89110450
7-amino-1,2,3,4-tetrahydronaphthalen-1-ol
CID 15840809
5-butyl-2,3-dihydro-1H-indol-2-ol
CID 141157926
1-(5-hydroxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)propan-1-one
CID 90992189

Frequently Asked Questions

What is the IUPAC name of (1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 79014495) is (1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol is CCCCc1ccc2c(c1)[C@@H](O)CCC2.
What is the InChIKey of (1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is WIYJACQAXLKEJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-5-11-8-9-12-6-4-7-14(15)13(12)10-11/h8-10,14-15H,2-7H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 79014495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).