3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol

C16H20O2 — CID 19907378

IUPAC3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
SMILESOCCCc1ccc2cc(CCCO)ccc2c1
InChIInChI=1S/C16H20O2/c17-9-1-3-13-5-7-16-12-14(4-2-10-18)6-8-15(16)11-13/h5-8,11-12,17-18H,1-4,9-10H2
InChIKeyFIGNHERQONYGBU-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.69
Rot. Bonds6

About 3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol

3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol (PubChem CID 19907378) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
PubChem CID19907378
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
SMILESOCCCc1ccc2cc(CCCO)ccc2c1
InChIInChI=1S/C16H20O2/c17-9-1-3-13-5-7-16-12-14(4-2-10-18)6-8-15(16)11-13/h5-8,11-12,17-18H,1-4,9-10H2
InChIKeyFIGNHERQONYGBU-UHFFFAOYSA-N
XLogP2.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-hydroxybutyl)naphthalene-2-carbaldehyde
CID 126699498
3-(4-naphthalen-2-ylphenyl)propan-1-ol
CID 145097669
2-[6,7-bis(2-hydroxyethyl)naphthalen-2-yl]ethanol
CID 150686406
3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
CID 91082526
3-(1,2-benzoxazol-5-yl)propan-1-ol
CID 117277494
3-(1,2-benzoxazol-6-yl)propan-1-ol
CID 117277493
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
[6-(hydroxymethyl)naphthalen-2-yl]methanol
CID 11788722
2-bromo-4-(3-hydroxypropyl)phenol
CID 101080758
2-butyl-6-propylnaphthalene
CID 58232616
4-(1-benzofuran-6-yl)butan-1-ol
CID 173058838
4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol
CID 115217835

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol?
The IUPAC name of 3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol (CID 19907378) is 3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for 3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for 3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol is OCCCc1ccc2cc(CCCO)ccc2c1.
What is the InChIKey of 3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol?
The InChIKey is FIGNHERQONYGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-9-1-3-13-5-7-16-12-14(4-2-10-18)6-8-15(16)11-13/h5-8,11-12,17-18H,1-4,9-10H2.
What are the key properties of 3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol?
3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol has a molecular weight of 244.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 19907378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).