2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol

C20H28O2 — CID 12045762

IUPAC2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol
SMILESC=CCC1(CCCC)Cc2cc(OC)ccc2C1(O)C(=C)C
InChIInChI=1S/C20H28O2/c1-6-8-12-19(11-7-2)14-16-13-17(22-5)9-10-18(16)20(19,21)15(3)4/h7,9-10,13,21H,2-3,6,8,11-12,14H2,1,4-5H3
InChIKeyDYTXOSJNLFHAFA-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.77
Rot. Bonds7

About 2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol

2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol (PubChem CID 12045762) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol.

Molecular Properties

Compound Name2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol
PubChem CID12045762
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol
SMILESC=CCC1(CCCC)Cc2cc(OC)ccc2C1(O)C(=C)C
InChIInChI=1S/C20H28O2/c1-6-8-12-19(11-7-2)14-16-13-17(22-5)9-10-18(16)20(19,21)15(3)4/h7,9-10,13,21H,2-3,6,8,11-12,14H2,1,4-5H3
InChIKeyDYTXOSJNLFHAFA-UHFFFAOYSA-N
XLogP4.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-5-methoxy-2-prop-2-enyl-3H-inden-1-one
CID 12045757
2-ethenyl-5-methoxy-2-pentyl-3H-inden-1-one
CID 89098105
2-butyl-2-ethenyl-6-methoxy-3,4-dihydronaphthalen-1-one
CID 89098107
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
(4bS,9aS)-2-methoxy-5-methyl-9a-pent-4-enyl-7,8,9,10-tetrahydrobenzo[a]azulen-4b-ol
CID 101212052
2-butyl-5-(methoxymethoxy)-2-prop-2-enyl-3H-inden-1-one
CID 101212041
(4aR)-7-methoxy-4a-prop-2-enyl-3,4,9,10-tetrahydrophenanthren-2-one
CID 68835490
(8S,9R,13R,14S,16R)-13-ethyl-3-methoxy-9-prop-2-enyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-16-ol
CID 10382650
(2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran
CID 16726534
prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate
CID 101410049
2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 105461731

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol?
The IUPAC name of 2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol (CID 12045762) is 2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol.
What is the SMILES notation for 2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol?
The canonical SMILES for 2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol is C=CCC1(CCCC)Cc2cc(OC)ccc2C1(O)C(=C)C.
What is the InChIKey of 2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol?
The InChIKey is DYTXOSJNLFHAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-6-8-12-19(11-7-2)14-16-13-17(22-5)9-10-18(16)20(19,21)15(3)4/h7,9-10,13,21H,2-3,6,8,11-12,14H2,1,4-5H3.
What are the key properties of 2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol?
2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol has a molecular weight of 300.44 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methoxy-1-prop-1-en-2-yl-2-prop-2-enyl-3H-inden-1-ol is sourced from PubChem (CID 12045762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).