(4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol

C16H17IO3 — CID 61080761

IUPAC(4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol
SMILESCOc1cc(C)c(C(O)c2ccc(I)cc2)cc1OC
InChIInChI=1S/C16H17IO3/c1-10-8-14(19-2)15(20-3)9-13(10)16(18)11-4-6-12(17)7-5-11/h4-9,16,18H,1-3H3
InChIKeyQGESUZFJZCQFEX-UHFFFAOYSA-N
MW384.21 g/mol
LogP3.70
Rot. Bonds4

About (4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol

(4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol (PubChem CID 61080761) has the molecular formula C16H17IO3 and a molecular weight of 384.21 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol
PubChem CID61080761
Molecular FormulaC16H17IO3
Molecular Weight384.21 g/mol
Exact Mass384.02
IUPAC Name(4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol
SMILESCOc1cc(C)c(C(O)c2ccc(I)cc2)cc1OC
InChIInChI=1S/C16H17IO3/c1-10-8-14(19-2)15(20-3)9-13(10)16(18)11-4-6-12(17)7-5-11/h4-9,16,18H,1-3H3
InChIKeyQGESUZFJZCQFEX-UHFFFAOYSA-N
XLogP3.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-iodophenyl)-(2-methoxyphenyl)methanol
CID 114978781
(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 81293426
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol
CID 113319557
(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol
CID 115794222
(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
CID 79731098
(2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081893
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61080574
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107098838
1-bromo-2-[bromo-(4-iodophenyl)methyl]-4,5-dimethoxybenzene
CID 63440645

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol (CID 61080761) is (4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol is COc1cc(C)c(C(O)c2ccc(I)cc2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol?
The InChIKey is QGESUZFJZCQFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO3/c1-10-8-14(19-2)15(20-3)9-13(10)16(18)11-4-6-12(17)7-5-11/h4-9,16,18H,1-3H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol?
(4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol has a molecular weight of 384.21 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol is sourced from PubChem (CID 61080761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).