ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone

C22H30O5 — CID 162734558

IUPACethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone
SMILESCCOCC.CCOCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C18H20O4.C4H10O/c1-2-21-11-6-12-22-15-9-10-16(17(19)13-15)18(20)14-7-4-3-5-8-14;1-3-5-4-2/h3-5,7-10,13,19H,2,6,11-12H2,1H3;3-4H2,1-2H3
InChIKeyBAHHCXVOYLOZKM-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.47
Rot. Bonds10

About ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone

ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone (PubChem CID 162734558) has the molecular formula C22H30O5 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone.

Molecular Properties

Compound Nameethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone
PubChem CID162734558
Molecular FormulaC22H30O5
Molecular Weight374.48 g/mol
Exact Mass374.21
IUPAC Nameethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone
SMILESCCOCC.CCOCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C18H20O4.C4H10O/c1-2-21-11-6-12-22-15-9-10-16(17(19)13-15)18(20)14-7-4-3-5-8-14;1-3-5-4-2/h3-5,7-10,13,19H,2,6,11-12H2,1H3;3-4H2,1-2H3
InChIKeyBAHHCXVOYLOZKM-UHFFFAOYSA-N
XLogP4.47
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
CID 10945581
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-phenylmethoxyphenyl)-phenylmethanone
CID 162002318
[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 54336810
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350
2-(4-benzoyl-3-hydroxyphenoxy)ethyl butanoate
CID 166903614
12-(4-benzoyl-3-hydroxyphenoxy)dodecyl-trimethylazanium bromide
CID 163408720
(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 22644201

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone?
The IUPAC name of ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone (CID 162734558) is ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone.
What is the SMILES notation for ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone?
The canonical SMILES for ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone is CCOCC.CCOCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone?
The InChIKey is BAHHCXVOYLOZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4.C4H10O/c1-2-21-11-6-12-22-15-9-10-16(17(19)13-15)18(20)14-7-4-3-5-8-14;1-3-5-4-2/h3-5,7-10,13,19H,2,6,11-12H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone?
ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone has a molecular weight of 374.48 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone is sourced from PubChem (CID 162734558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).