1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol

C19H30O5 — CID 22807699

IUPAC1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCOc1c(C)c(C)c(OC)c(C(O)C[C@@]2(C)COC(C)(C)O2)c1C
InChIInChI=1S/C19H30O5/c1-11-12(2)17(22-8)15(13(3)16(11)21-7)14(20)9-19(6)10-23-18(4,5)24-19/h14,20H,9-10H2,1-8H3/t14?,19-/m0/s1
InChIKeyGWBYYNOVVXVVKQ-PKDNWHCCSA-N
MW338.44 g/mol
LogP3.59
Rot. Bonds5

About 1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol

1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 22807699) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID22807699
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCOc1c(C)c(C)c(OC)c(C(O)C[C@@]2(C)COC(C)(C)O2)c1C
InChIInChI=1S/C19H30O5/c1-11-12(2)17(22-8)15(13(3)16(11)21-7)14(20)9-19(6)10-23-18(4,5)24-19/h14,20H,9-10H2,1-8H3/t14?,19-/m0/s1
InChIKeyGWBYYNOVVXVVKQ-PKDNWHCCSA-N
XLogP3.59
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol with MolForge

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Related Compounds

[4-hydroxy-2,3,6-trimethyl-5-[1-propan-2-ylsulfanyl-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethyl]phenyl] acetate
CID 14849541
[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11106100
N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane
CID 163386010
(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
CID 58254236
1,3-bis(2-methyloxiran-2-yl)propan-2-ol
CID 88762756
methane;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157181904
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116863758
(E,1R,7R,11R)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadec-2-en-1-ol
CID 146501240
(7R,11R)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadec-2-en-1-ol
CID 158730272
1-(2-methyloxiran-2-yl)propan-2-ol
CID 12835187
2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol
CID 117115320

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol (CID 22807699) is 1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol is COc1c(C)c(C)c(OC)c(C(O)C[C@@]2(C)COC(C)(C)O2)c1C.
What is the InChIKey of 1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is GWBYYNOVVXVVKQ-PKDNWHCCSA-N. The full InChI is InChI=1S/C19H30O5/c1-11-12(2)17(22-8)15(13(3)16(11)21-7)14(20)9-19(6)10-23-18(4,5)24-19/h14,20H,9-10H2,1-8H3/t14?,19-/m0/s1.
What are the key properties of 1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol?
1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 338.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 22807699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).