1-methoxyinden-1-ol

C10H10O2 — CID 22755553

IUPAC1-methoxyinden-1-ol
SMILESCOC1(O)C=Cc2ccccc21
InChIInChI=1S/C10H10O2/c1-12-10(11)7-6-8-4-2-3-5-9(8)10/h2-7,11H,1H3
InChIKeyRMYAIVDQHNSOCS-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.50
Rot. Bonds1

About 1-methoxyinden-1-ol

1-methoxyinden-1-ol (PubChem CID 22755553) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-methoxyinden-1-ol.

Molecular Properties

Compound Name1-methoxyinden-1-ol
PubChem CID22755553
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1-methoxyinden-1-ol
SMILESCOC1(O)C=Cc2ccccc21
InChIInChI=1S/C10H10O2/c1-12-10(11)7-6-8-4-2-3-5-9(8)10/h2-7,11H,1H3
InChIKeyRMYAIVDQHNSOCS-UHFFFAOYSA-N
XLogP1.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.50
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

2-(1-methoxyinden-1-yl)acetic acid
CID 13445754
(1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol
CID 45091466
methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
CID 90362386
2-(1-hydroxyinden-1-yl)ethyl acetate
CID 175294687
1-methoxy-2H-naphthalen-1-amine
CID 141164754
dichloro-(1-methylinden-1-yl)borane
CID 135083238
1,1,3,3-tetramethylspiro[cyclobutane-2,1'-indene]
CID 58564330
(1-phosphonoinden-1-yl)phosphonic acid
CID 87931462
2-[2-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 134854080
[(1R)-1-methylinden-1-yl]-phenylmethanol
CID 10944441
methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate
CID 171976219
(1R,2S,3'S)-3'-butyl-1-methylspiro[naphthalene-2,2'-oxirane]-1-ol
CID 10332077

Frequently Asked Questions

What is the IUPAC name of 1-methoxyinden-1-ol?
The IUPAC name of 1-methoxyinden-1-ol (CID 22755553) is 1-methoxyinden-1-ol.
What is the SMILES notation for 1-methoxyinden-1-ol?
The canonical SMILES for 1-methoxyinden-1-ol is COC1(O)C=Cc2ccccc21.
What is the InChIKey of 1-methoxyinden-1-ol?
The InChIKey is RMYAIVDQHNSOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-12-10(11)7-6-8-4-2-3-5-9(8)10/h2-7,11H,1H3.
What are the key properties of 1-methoxyinden-1-ol?
1-methoxyinden-1-ol has a molecular weight of 162.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyinden-1-ol is sourced from PubChem (CID 22755553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).