5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol

C12H16O2 — CID 140617334

IUPAC5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol
SMILESOCOCc1cccc2c1CCCC2
InChIInChI=1S/C12H16O2/c13-9-14-8-11-6-3-5-10-4-1-2-7-12(10)11/h3,5-6,13H,1-2,4,7-9H2
InChIKeyQOQSWVPFMSGWCR-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.03
Rot. Bonds3

About 5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol

5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol (PubChem CID 140617334) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol
PubChem CID140617334
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol
SMILESOCOCc1cccc2c1CCCC2
InChIInChI=1S/C12H16O2/c13-9-14-8-11-6-3-5-10-4-1-2-7-12(10)11/h3,5-6,13H,1-2,4,7-9H2
InChIKeyQOQSWVPFMSGWCR-UHFFFAOYSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine
CID 54347054
2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 15212214
1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)cyclopropan-1-ol
CID 117291079
N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine
CID 59487265
N,N-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19804
dimethyl 2,2-bis(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propanedioate
CID 54556119
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
CID 21151081
5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene
CID 67275379
5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid
CID 12646162
2-bromo-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 104512952
3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate
CID 88767541

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol (CID 140617334) is 5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol is OCOCc1cccc2c1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol?
The InChIKey is QOQSWVPFMSGWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-9-14-8-11-6-3-5-10-4-1-2-7-12(10)11/h3,5-6,13H,1-2,4,7-9H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol?
5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol has a molecular weight of 192.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol is sourced from PubChem (CID 140617334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).