5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol

C13H15ClO — CID 42644023

IUPAC5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCC=C2CCCCl
InChIInChI=1S/C13H15ClO/c14-8-2-5-10-3-1-4-11-9-12(15)6-7-13(10)11/h3,6-7,9,15H,1-2,4-5,8H2
InChIKeyDWAKXDZDMAFXIF-UHFFFAOYSA-N
MW222.71 g/mol
LogP3.74
Rot. Bonds3

About 5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol

5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol (PubChem CID 42644023) has the molecular formula C13H15ClO and a molecular weight of 222.71 g/mol. Its IUPAC name is 5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol
PubChem CID42644023
Molecular FormulaC13H15ClO
Molecular Weight222.71 g/mol
Exact Mass222.08
IUPAC Name5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCC=C2CCCCl
InChIInChI=1S/C13H15ClO/c14-8-2-5-10-3-1-4-11-9-12(15)6-7-13(10)11/h3,6-7,9,15H,1-2,4-5,8H2
InChIKeyDWAKXDZDMAFXIF-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.71
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-hydroxyphenyl)methyl]-7,8-dihydronaphthalen-2-ol
CID 125487184
7-methyl-4-propyl-1,2-dihydronaphthalene
CID 145183913
2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid
CID 105490846
7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol
CID 66798061
9,10-dihydrophenanthrene-2,6-diol
CID 163031531
4-(chloromethyl)-3-(3-chloropropyl)phenol
CID 131386384
2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol
CID 102513348
1-(methylaminomethyl)-3H-inden-5-ol
CID 105436179
2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 11959102
9,10-dihydrophenanthren-2-ol;ethane
CID 91093084
(6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride
CID 175934245
3-(2-aminoethyl)-1H-inden-5-ol
CID 59866718

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol?
The IUPAC name of 5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol (CID 42644023) is 5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol.
What is the SMILES notation for 5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol?
The canonical SMILES for 5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol is Oc1ccc2c(c1)CCC=C2CCCCl.
What is the InChIKey of 5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol?
The InChIKey is DWAKXDZDMAFXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c14-8-2-5-10-3-1-4-11-9-12(15)6-7-13(10)11/h3,6-7,9,15H,1-2,4-5,8H2.
What are the key properties of 5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol?
5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol has a molecular weight of 222.71 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropyl)-7,8-dihydronaphthalen-2-ol is sourced from PubChem (CID 42644023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).