2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C16H22O2 — CID 79422393

IUPAC2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccccc2CCC1CC1CCCCO1
InChIInChI=1S/C16H22O2/c17-16-13(11-14-6-3-4-10-18-14)9-8-12-5-1-2-7-15(12)16/h1-2,5,7,13-14,16-17H,3-4,6,8-11H2
InChIKeyPZJPVTSFWVTPOZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.24
Rot. Bonds2

About 2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 79422393) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID79422393
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccccc2CCC1CC1CCCCO1
InChIInChI=1S/C16H22O2/c17-16-13(11-14-6-3-4-10-18-14)9-8-12-5-1-2-7-15(12)16/h1-2,5,7,13-14,16-17H,3-4,6,8-11H2
InChIKeyPZJPVTSFWVTPOZ-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 62550361
2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 55091627
6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65166206
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 70291111
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79229061
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79424384
6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79422801
(1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 101152494
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 79422393) is 2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is OC1c2ccccc2CCC1CC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is PZJPVTSFWVTPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-16-13(11-14-6-3-4-10-18-14)9-8-12-5-1-2-7-15(12)16/h1-2,5,7,13-14,16-17H,3-4,6,8-11H2.
What are the key properties of 2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 79422393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).