6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol

C15H18O2 — CID 113374241

IUPAC6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
SMILESC#CCCCC1(O)CCc2ccc(OC)cc21
InChIInChI=1S/C15H18O2/c1-3-4-5-9-15(16)10-8-12-6-7-13(17-2)11-14(12)15/h1,6-7,11,16H,4-5,8-10H2,2H3
InChIKeySWIOATFXZYUYTH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.63
Rot. Bonds4

About 6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol

6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol (PubChem CID 113374241) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
PubChem CID113374241
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
SMILESC#CCCCC1(O)CCc2ccc(OC)cc21
InChIInChI=1S/C15H18O2/c1-3-4-5-9-15(16)10-8-12-6-7-13(17-2)11-14(12)15/h1,6-7,11,16H,4-5,8-10H2,2H3
InChIKeySWIOATFXZYUYTH-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol
CID 113374244
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356
1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374777
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371784
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906
6-methoxy-1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 79368954
6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol
CID 103006424
1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374993

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol?
The IUPAC name of 6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol (CID 113374241) is 6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol is C#CCCCC1(O)CCc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol?
The InChIKey is SWIOATFXZYUYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-4-5-9-15(16)10-8-12-6-7-13(17-2)11-14(12)15/h1,6-7,11,16H,4-5,8-10H2,2H3.
What are the key properties of 6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol?
6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 113374241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).